A0A087YST8_POEFO Loading...

Extracellular leucine rich repeat and fibronectin type III domain containing 1

AlphaFold DB , UniProt , Accession A0A087YST8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 788 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.7	Very low	35.1	Very low	234 Å²	234	150.3 Å²	150.3	100%	1.153	75%	0.754	S	S	*	*				0	22.9	0	-155.7	170.1	-177.7	0	0	113.4
2	T	39.8	Very low	35.4	Very low	119 Å²	119	143.7 Å²	143.7	73%	0.73	73%	0.733	S	S	*	*			trans	-106	-22.1	-163.7	34.6	0	0	0	0	115.8
3	L	33	Very low	36	Very low	149 Å²	149	141.5 Å²	141.5	78%	0.78	72%	0.724	S	S	*	*	H	α-helix	trans	-68	-36.9	-175.9	-104.3	68.6	0	0	0	114.5	K5 A6	L3-K5 VanDerWaalsContact C-N 3.28Å; L3-K5 PolarHBondContact O-N 3.23Å; L3-A6 PolarHBondContact O-N 2.77Å
4	R	33.4	Very low	36.5	Very low	222 Å²	222	134.6 Å²	134.6	84%	0.838	71%	0.706	S	S	*	*	H	α-helix	trans	-66	-22	-174.7	-83.3	-171.3	175	-179.7	-0.9	114.7
5	K	35.4	Very low	37.4	Very low	180 Å²	180	131.3 Å²	131.3	78%	0.783	69%	0.693	S	S	*	*	H	α-helix	trans	-77.2	-28.1	176.6	-76.2	-168.5	173.8	-174.5	0	113.2	L3	L3-K5 VanDerWaalsContact C-N 3.28Å; L3-K5 PolarHBondContact O-N 3.23Å
6	A	33.5	Very low	38.3	Very low	66 Å²	66	129.3 Å²	129.3	55%	0.545	68%	0.68	S	S	.	*	H	α-helix	trans	-68.2	-37.4	179.9	0	0	0	0	0	112.7	L3 M8 A9	L3-A6 PolarHBondContact O-N 2.77Å; A6-M8 VanDerWaalsContact C-N 3.32Å; A6-M8 PolarHBondContact O-N 2.88Å; A6-A9 PolarHBondContact O-N 3.47Å
7	Q	30.4	Very low	39.1	Very low	160 Å²	160	125.1 Å²	125.1	75%	0.748	66%	0.664	S	S	*	*	H	α-helix	trans	-71.2	-20.6	-178.2	-101.1	175.1	-29.5	0	0	114.7
8	M	33.8	Very low	39.9	Very low	155 Å²	155	121.3 Å²	121.3	76%	0.764	65%	0.653	S	S	*	*	H	α-helix	trans	-80.2	-35.8	173.8	-75.3	-179.1	165.8	0	0	112.3	A6 R11	A6-M8 VanDerWaalsContact C-N 3.32Å; A6-M8 PolarHBondContact O-N 2.88Å; M8-R11 PolarHBondContact O-N 3.25Å
9	A	35.2	Very low	40.7	Very low	59 Å²	59	119.5 Å²	119.5	49%	0.488	64%	0.643	S	S	.	*	H	α-helix	trans	-60.5	-50.8	179.8	0	0	0	0	0	112.1	A6 R11 S12	A6-A9 PolarHBondContact O-N 3.47Å; A9-R11 PolarHBondContact O-N 3.03Å; A9-S12 WeakPolarHBondContact O-CB 3.43Å; A9-S12 PolarHBondContact O-N 2.75Å
10	C	31.1	Very low	41.4	Very low	102 Å²	102	120.2 Å²	120.2	69%	0.689	64%	0.64	S	S	*	*	H	α-helix	trans	-63.7	-12.2	179.2	-67.8	0	0	0	0	114.7
11	R	36.3	Very low	42.1	Very low	207 Å²	207	123.3 Å²	123.3	78%	0.781	64%	0.643	S	S	*	*	H	α-helix	trans	-87.8	-16.7	175.3	-152.2	172	-171.9	174.9	1.8	112.8	M8 A9 V15	M8-R11 PolarHBondContact O-N 3.25Å; A9-R11 PolarHBondContact O-N 3.03Å; R11-V15 WeakPolarHBondContact O-CG2 3.45Å
12	S	39.4	Very low	42.7	Very low	71 Å²	71	114.4 Å²	114.4	50%	0.497	60%	0.604	S	S	.	*	H	α-helix	trans	-78.6	-46.8	176.4	-172	0	0	0	0	111.9	A9 G14 V15 M16	A9-S12 WeakPolarHBondContact O-CB 3.43Å; A9-S12 PolarHBondContact O-N 2.75Å; S12-G14 VanDerWaalsContact C-N 3.28Å; S12-G14 PolarHBondContact O-N 3.44Å; S12-V15 PolarHBondContact O-N 2.84Å; S12-V15 VanDerWaalsContact O-N 3.09Å; S12-M16 PolarHBondContact O-N 2.86Å
13	D	43.4	Very low	43.8	Very low	116 Å²	116	113.1 Å²	113.1	62%	0.62	59%	0.592	S	S	*	*	H	α-helix	trans	-58.9	-37.8	-178	-65.9	-21.7	0	0	0	112.7	S17	D13-S17 VanDerWaalsContact O-CB 3.25Å; D13-S17 WeakPolarHBondContact O-CB 3.49Å; D13-S17 PolarHBondContact O-N 3.14Å
14	G	42.8	Very low	45.1	Very low	45 Å²	45	109 Å²	109	46%	0.464	57%	0.572	S	S	.	*	H	α-helix	trans	-66.4	-37.1	177	0	0	0	0	0	113.6	S12 A18	S12-G14 VanDerWaalsContact C-N 3.28Å; S12-G14 PolarHBondContact O-N 3.44Å; G14-A18 WeakPolarHBondContact O-CB 3.38Å; G14-A18 PolarHBondContact O-N 2.98Å
15	V	50.5	Low	46.2	Very low	85 Å²	85	103.9 Å²	103.9	52%	0.515	56%	0.561	S	S	.	*	H	α-helix	trans	-74.1	-42.4	178.3	175.8	0	0	0	0	110.7	R11 S12 S17 A18 L19	R11-V15 WeakPolarHBondContact O-CG2 3.45Å; S12-V15 PolarHBondContact O-N 2.84Å; S12-V15 VanDerWaalsContact O-N 3.09Å; V15-S17 PolarHBondContact O-N 3.16Å; V15-A18 PolarHBondContact O-N 3.04Å; V15-L19 HydrophobicContact CG1-CD1 4.01Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 2.85Å
16	M	50.5	Low	47.3	Very low	99 Å²	99	99.8 Å²	99.8	49%	0.488	55%	0.547	S	S	.	.	H	α-helix	trans	-61.8	-42.9	173.5	-73.3	-63.6	-66.9	0	0	111.7	S12 L19 F20	S12-M16 PolarHBondContact O-N 2.86Å; M16-L19 PolarHBondContact O-N 3.49Å; M16-F20 HydrophobicContact CE-CE2 4.12Å; M16-F20 WeakPolarHBondContact O-CD2 3.3Å; M16-F20 PolarHBondContact O-N 2.87Å
17	S	52.3	Low	48.3	Very low	57 Å²	57	100.1 Å²	100.1	40%	0.399	54%	0.544	S	S	.	.	H	α-helix	trans	-59.6	-49.6	173.7	-175.3	0	0	0	0	111.5	D13 V15 L19 F20 W21	D13-S17 VanDerWaalsContact O-CB 3.25Å; D13-S17 WeakPolarHBondContact O-CB 3.49Å; D13-S17 PolarHBondContact O-N 3.14Å; V15-S17 PolarHBondContact O-N 3.16Å; S17-L19 VanDerWaalsContact C-N 3.32Å; S17-L19 PolarHBondContact O-N 3.37Å; S17-F20 PolarHBondContact O-N 3.43Å; S17-W21 PolarHBondContact O-N 2.96Å
18	A	53.2	Low	49.5	Very low	58 Å²	58	97.6 Å²	97.6	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-37	178.9	0	0	0	0	0	113.1	G14 V15 S22	G14-A18 WeakPolarHBondContact O-CB 3.38Å; G14-A18 PolarHBondContact O-N 2.98Å; V15-A18 PolarHBondContact O-N 3.04Å; A18-S22 WeakPolarHBondContact O-CB 3.41Å; A18-S22 PolarHBondContact O-N 2.82Å; A18-S22 PolarHBondContact O-OG 3.27Å
19	L	56.1	Low	50.5	Low	87 Å²	87	95.4 Å²	95.4	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-69.2	-40.1	174	-74.2	168.3	0	0	0	112.3	V15 M16 S17 S22 I23	V15-L19 HydrophobicContact CG1-CD1 4.01Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 2.85Å; M16-L19 PolarHBondContact O-N 3.49Å; S17-L19 VanDerWaalsContact C-N 3.32Å; S17-L19 PolarHBondContact O-N 3.37Å; L19-S22 PolarHBondContact O-N 3.43Å; L19-S22 PolarHBondContact O-OG 3.24Å; L19-I23 VanDerWaalsContact O-CB 3.28Å; L19-I23 WeakPolarHBondContact O-CB 3.4Å; L19-I23 WeakPolarHBondContact O-CD1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.2Å; L19-I23 PolarHBondContact O-N 3.49Å
20	F	54.8	Low	50.9	Low	132 Å²	132	99.8 Å²	99.8	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-64	-43.6	172.8	-96.4	-82.5	0	0	0	111.6	M16 S17 I23 T24	M16-F20 HydrophobicContact CE-CE2 4.12Å; M16-F20 WeakPolarHBondContact O-CD2 3.3Å; M16-F20 PolarHBondContact O-N 2.87Å; S17-F20 PolarHBondContact O-N 3.43Å; F20-I23 PolarHBondContact O-N 2.95Å; F20-T24 WeakPolarHBondContact O-CG2 3.34Å; F20-T24 PolarHBondContact O-N 2.94Å; F20-T24 PolarHBondContact O-OG1 3.29Å
21	W	55.1	Low	51.8	Low	186 Å²	186	100 Å²	100	71%	0.705	53%	0.534	S	S	*	.	H	α-helix	trans	-64	-43.4	176.1	-80.5	105.2	0	0	0	112.2	S17 T24 L25	S17-W21 PolarHBondContact O-N 2.96Å; W21-T24 WeakPolarHBondContact CA-OG1 3.42Å; W21-T24 PolarHBondContact O-N 2.85Å; W21-T24 PolarHBondContact O-OG1 2.95Å; W21-L25 WeakPolarHBondContact O-CB 3.36Å; W21-L25 PolarHBondContact O-N 2.86Å
22	S	57.6	Low	52.1	Low	48 Å²	48	93 Å²	93	34%	0.336	53%	0.526	S	S	.	.	H	α-helix	trans	-67.3	-39.1	176.5	69.3	0	0	0	0	112.2	A18 L19 L25 I26	A18-S22 WeakPolarHBondContact O-CB 3.41Å; A18-S22 PolarHBondContact O-N 2.82Å; A18-S22 PolarHBondContact O-OG 3.27Å; L19-S22 PolarHBondContact O-N 3.43Å; L19-S22 PolarHBondContact O-OG 3.24Å; S22-L25 PolarHBondContact O-N 3.38Å; S22-I26 WeakPolarHBondContact O-CB 3.4Å; S22-I26 WeakPolarHBondContact O-CD1 3.44Å; S22-I26 WeakPolarHBondContact O-CG1 3.49Å; S22-I26 PolarHBondContact O-N 3.08Å
23	I	61.8	Low	52.2	Low	92 Å²	92	98.8 Å²	98.8	47%	0.472	54%	0.537	S	S	.	.	H	α-helix	trans	-62.3	-44.1	172.3	-70.6	165.3	0	0	0	110.4	L19 F20 L25 I26 C27	L19-I23 VanDerWaalsContact O-CB 3.28Å; L19-I23 WeakPolarHBondContact O-CB 3.4Å; L19-I23 WeakPolarHBondContact O-CD1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.2Å; L19-I23 PolarHBondContact O-N 3.49Å; F20-I23 PolarHBondContact O-N 2.95Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 3.17Å; I23-I26 PolarHBondContact O-N 2.82Å; I23-C27 VanDerWaalsContact O-CB 3.29Å; I23-C27 WeakPolarHBondContact O-CB 3.49Å; I23-C27 PolarHBondContact O-N 3.36Å; I23-C27 PolarHBondContact O-SG 2.83Å
24	T	60.2	Low	52.1	Low	61 Å²	61	98.8 Å²	98.8	37%	0.374	54%	0.541	S	S	.	.	H	α-helix	trans	-65.1	-35.2	175	54	0	0	0	0	112.8	F20 W21 C27 L28	F20-T24 WeakPolarHBondContact O-CG2 3.34Å; F20-T24 PolarHBondContact O-N 2.94Å; F20-T24 PolarHBondContact O-OG1 3.29Å; W21-T24 WeakPolarHBondContact CA-OG1 3.42Å; W21-T24 PolarHBondContact O-N 2.85Å; W21-T24 PolarHBondContact O-OG1 2.95Å; T24-C27 PolarHBondContact O-N 3.47Å; T24-L28 WeakPolarHBondContact O-CB 3.39Å; T24-L28 WeakPolarHBondContact O-CD1 3.37Å; T24-L28 WeakPolarHBondContact O-CG 3.49Å; T24-L28 PolarHBondContact O-N 3.04Å
25	L	57.1	Low	52.4	Low	116 Å²	116	99.5 Å²	99.5	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-69	-43	176.6	-161.3	76.5	0	0	0	111.1	W21 S22 I23 L28 T29	W21-L25 WeakPolarHBondContact O-CB 3.36Å; W21-L25 PolarHBondContact O-N 2.86Å; S22-L25 PolarHBondContact O-N 3.38Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 3.17Å; L25-L28 PolarHBondContact O-N 3.16Å; L25-T29 PolarHBondContact O-N 3.03Å; L25-T29 PolarHBondContact O-OG1 3.47Å
26	I	59.2	Low	52.5	Low	94 Å²	94	96.6 Å²	96.6	48%	0.482	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-46.2	173.9	-70.5	164.3	0	0	0	109.9	S22 I23 L28 T29 H30	S22-I26 WeakPolarHBondContact O-CB 3.4Å; S22-I26 WeakPolarHBondContact O-CD1 3.44Å; S22-I26 WeakPolarHBondContact O-CG1 3.49Å; S22-I26 PolarHBondContact O-N 3.08Å; I23-I26 PolarHBondContact O-N 2.82Å; I26-L28 VanDerWaalsContact C-N 3.33Å; I26-L28 PolarHBondContact O-N 2.92Å; I26-T29 WeakPolarHBondContact CA-OG1 3.45Å; I26-T29 CarbonylContact O-C 3.57Å; I26-T29 PolarHBondContact O-N 3.25Å; I26-T29 PolarHBondContact O-OG1 2.91Å; I26-H30 WeakPolarHBondContact O-CB 3.47Å; I26-H30 PolarHBondContact O-CD2 2.7Å; I26-H30 PolarHBondContact O-N 3.41Å
27	C	53.3	Low	53.3	Low	72 Å²	72	97 Å²	97	49%	0.486	53%	0.53	S	S	.	.	H	α-helix	trans	-63.4	-34.4	174.4	-73.4	0	0	0	0	112.9	I23 T24 H30 I31	I23-C27 VanDerWaalsContact O-CB 3.29Å; I23-C27 WeakPolarHBondContact O-CB 3.49Å; I23-C27 PolarHBondContact O-N 3.36Å; I23-C27 PolarHBondContact O-SG 2.83Å; T24-C27 PolarHBondContact O-N 3.47Å; C27-H30 CarbonylContact O-C 3.51Å; C27-H30 PolarHBondContact O-N 3.36Å; C27-I31 WeakPolarHBondContact O-CG1 3.45Å; C27-I31 PolarHBondContact O-N 3.44Å
28	L	55.3	Low	54.8	Low	108 Å²	108	95 Å²	95	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-67.9	-40.4	172.8	-77.9	163	0	0	0	111.5	T24 L25 I26 H30 I31	T24-L28 WeakPolarHBondContact O-CB 3.39Å; T24-L28 WeakPolarHBondContact O-CD1 3.37Å; T24-L28 WeakPolarHBondContact O-CG 3.49Å; T24-L28 PolarHBondContact O-N 3.04Å; L25-L28 PolarHBondContact O-N 3.16Å; I26-L28 VanDerWaalsContact C-N 3.33Å; I26-L28 PolarHBondContact O-N 2.92Å; L28-H30 VanDerWaalsContact C-N 3.25Å; L28-H30 PolarHBondContact O-N 3.44Å; L28-I31 HydrophobicContact CD2-CD1 3.91Å; L28-I31 PolarHBondContact O-N 2.9Å
29	T	55	Low	56.4	Low	109 Å²	109	101.6 Å²	101.6	67%	0.669	53%	0.528	S	S	*	.	H	α-helix	trans	-71.5	-19.5	170.8	54.2	0	0	0	0	113.5	L25 I26	L25-T29 PolarHBondContact O-N 3.03Å; L25-T29 PolarHBondContact O-OG1 3.47Å; I26-T29 WeakPolarHBondContact CA-OG1 3.45Å; I26-T29 CarbonylContact O-C 3.57Å; I26-T29 PolarHBondContact O-N 3.25Å; I26-T29 PolarHBondContact O-OG1 2.91Å
30	H	44.8	Very low	57.9	Low	150 Å²	150	100.8 Å²	100.8	69%	0.694	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	12.4	171	-84.4	-80.3	0	0	0	113.5	I26 C27 L28 G32	I26-H30 WeakPolarHBondContact O-CB 3.47Å; I26-H30 PolarHBondContact O-CD2 2.7Å; I26-H30 PolarHBondContact O-N 3.41Å; C27-H30 CarbonylContact O-C 3.51Å; C27-H30 PolarHBondContact O-N 3.36Å; L28-H30 VanDerWaalsContact C-N 3.25Å; L28-H30 PolarHBondContact O-N 3.44Å; H30-G32 PolarHBondContact O-N 3Å
31	I	49	Very low	59.2	Low	108 Å²	108	98.3 Å²	98.3	55%	0.554	52%	0.516	S	S	*	.	S	Bend	trans	-68.6	87.5	152.9	-62.5	-178.2	0	0	0	104.9	C27 L28 R33	C27-I31 WeakPolarHBondContact O-CG1 3.45Å; C27-I31 PolarHBondContact O-N 3.44Å; L28-I31 HydrophobicContact CD2-CD1 3.91Å; L28-I31 PolarHBondContact O-N 2.9Å; I31-R33 PolarHBondContact O-N 3.42Å; I31-R33 VanDerWaalsContact O-N 3.16Å
32	G	42.9	Very low	60.7	Low	58 Å²	58	95.7 Å²	95.7	60%	0.598	51%	0.512	S	S	*	.			trans	-50	124.9	171.3	0	0	0	0	0	107.7	H30 V34	H30-G32 PolarHBondContact O-N 3Å; G32-V34 PolarHBondContact O-N 2.89Å
33	R	40.8	Very low	61.5	Low	193 Å²	193	95.4 Å²	95.4	73%	0.728	52%	0.516	S	S	*	.			trans	-40.3	106.8	179.4	-176.2	-177.7	-162.1	147.9	4.4	108.7	I31 S35	I31-R33 PolarHBondContact O-N 3.42Å; I31-R33 VanDerWaalsContact O-N 3.16Å; R33-S35 PolarHBondContact O-N 3.23Å
34	V	42.1	Very low	61.8	Low	116 Å²	116	98.5 Å²	98.5	70%	0.703	53%	0.529	S	S	*	.			trans	-57.2	115.2	-169.8	177.3	0	0	0	0	107.6	G32 G36	G32-V34 PolarHBondContact O-N 2.89Å; V34-G36 PolarHBondContact O-N 3.24Å; V34-G36 VanDerWaalsContact O-N 3.14Å
35	S	48.3	Very low	62.6	Low	61 Å²	61	105.1 Å²	105.1	43%	0.427	55%	0.553	S	S	.	*			trans	-59.3	120.8	178	-166.3	0	0	0	0	107.4	R33 D37	R33-S35 PolarHBondContact O-N 3.23Å; S35-D37 VanDerWaalsContact CB-OD1 3.24Å; S35-D37 WeakPolarHBondContact CB-OD1 3.39Å; S35-D37 PolarHBondContact O-N 3.4Å; S35-D37 PolarHBondContact OG-OD1 3.22Å
36	G	52.3	Low	63.2	Low	23 Å²	23	101.3 Å²	101.3	24%	0.237	54%	0.541	C	S	.	.			trans	-72.4	75.1	167.1	0	0	0	0	0	108.1	V34 N56 Q57	V34-G36 PolarHBondContact O-N 3.24Å; V34-G36 VanDerWaalsContact O-N 3.14Å; G36-N56 WeakPolarHBondContact O-CB 3.34Å; G36-N56 PolarHBondContact O-ND2 3.38Å; G36-N56 PolarHBondContact O-OD1 2.81Å; G36-Q57 PolarHBondContact N-O 2.87Å
37	D	69.1	Low	64.1	Low	107 Å²	107	100.4 Å²	100.4	57%	0.572	53%	0.534	S	S	*	.			trans	-73.3	143.6	172.4	-63.1	-17.5	0	0	0	108.6	S35 W39	S35-D37 VanDerWaalsContact CB-OD1 3.24Å; S35-D37 WeakPolarHBondContact CB-OD1 3.39Å; S35-D37 PolarHBondContact O-N 3.4Å; S35-D37 PolarHBondContact OG-OD1 3.22Å; D37-W39 PolarHBondContact O-N 3.36Å
38	C	83.4	Confident	65.4	Low	17 Å²	17	97 Å²	97	12%	0.115	51%	0.511	C	S	.	.			trans	-57	136.9	-177.7	-62.7	0	0	0	0	112	L40 I52 C53 Y60	C38-L40 HydrophobicContact CB-CD2 3.97Å; C38-L40 PolarHBondContact O-N 3.23Å; C38-L40 VanDerWaalsContact O-N 3.11Å; C38-I52 CarbonylContact C-O 3.6Å; C38-I52 WeakPolarHBondContact CA-O 3.45Å; C38-C53 HydrophobicContact CB-CB 4.14Å; C38-C53 WeakPolarHBondContact CB-SG 3.39Å; C38-C53 WeakPolarHBondContact SG-CB 3.28Å; C38-C53 CovalentContact SG-SG 2.04Å; C38-C53 PolarHBondContact SG-SG 3.36Å; C38-Y60 PolarHBondContact SG-OH 3.39Å; C38-Y60 VanDerWaalsContact SG-OH 3.42Å
39	W	85.3	Confident	66.9	Low	195 Å²	195	98.1 Å²	98.1	74%	0.739	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	99.6	166.6	-89.5	51.8	0	0	0	109.2	D37 I52	D37-W39 PolarHBondContact O-N 3.36Å; W39-I52 HydrophobicContact CB-CB 4.17Å; W39-I52 PolarHBondContact N-O 3.38Å; W39-I52 PolarHBondContact O-N 3.23Å
40	L	87.5	Confident	68.7	Low	71 Å²	71	94 Å²	94	37%	0.372	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.6	173.7	-54.2	-177.1	0	0	0	109.2	C38 V48 A51	C38-L40 HydrophobicContact CB-CD2 3.97Å; C38-L40 PolarHBondContact O-N 3.23Å; C38-L40 VanDerWaalsContact O-N 3.11Å; L40-V48 HydrophobicContact CB-CG1 3.99Å; L40-V48 HydrophobicContact CD2-CG1 4.36Å; L40-A51 HydrophobicContact CD2-CB 3.58Å
41	I	84.1	Confident	70.9	Confident	79 Å²	79	86.9 Å²	86.9	41%	0.405	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	101.3	175.6	-68.7	167.5	0	0	0	108	W49 L50	I41-W49 PolarHBondContact O-N 3.41Å; I41-W49 VanDerWaalsContact O-N 3.12Å; I41-L50 HydrophobicContact CB-CB 4.32Å; I41-L50 HydrophobicContact CD1-CD2 3.73Å; I41-L50 HydrophobicContact CD1-CG 4.1Å; I41-L50 PolarHBondContact N-O 3.05Å
42	E	84.8	Confident	72.9	Confident	131 Å²	131	84.5 Å²	84.5	61%	0.612	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.8	173.9	-74.7	178.8	-154.6	0	0	110.7	F47 V48	E42-F47 WeakPolarHBondContact CA-O 3.25Å; E42-V48 HydrophobicContact CG-CG2 3.66Å
43	G	74.6	Confident	75.2	Confident	42 Å²	42	81.8 Å²	81.8	43%	0.433	41%	0.408	S	S	.	.			trans	-86.7	-170.8	164.9	0	0	0	0	0	111.9	K45 G46 F47	G43-K45 PolarHBondContact O-N 3Å; G43-G46 PolarHBondContact O-N 2.86Å; G43-F47 PolarHBondContact N-O 3.44Å
44	E	69.7	Low	77.4	Confident	158 Å²	158	74.1 Å²	74.1	74%	0.738	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-52.8	142.7	178.7	-65.5	-165.9	168.2	0	0	112.8	G46	E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 2.63Å
45	K	75.4	Confident	79.5	Confident	200 Å²	200	73.7 Å²	73.7	87%	0.87	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	66.5	18.7	176.7	-52.3	146.8	-171.1	146.3	0	114.7	G43	G43-K45 PolarHBondContact O-N 3Å
46	G	69.4	Low	81.2	Confident	35 Å²	35	71.6 Å²	71.6	36%	0.361	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	79.3	21.5	174.4	0	0	0	0	0	114	G43 E44 V48	G43-G46 PolarHBondContact O-N 2.86Å; E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 2.63Å; G46-V48 PolarHBondContact O-N 3.23Å
47	F	78.6	Confident	82.4	Confident	75 Å²	75	75.5 Å²	75.5	33%	0.329	37%	0.371	S	S	.	.			trans	-79.2	112.2	172	-174.1	-76.6	0	0	0	108.8	E42 G43 W49 T70 V72	E42-F47 WeakPolarHBondContact CA-O 3.25Å; G43-F47 PolarHBondContact N-O 3.44Å; F47-W49 HydrophobicContact CD1-CB 4.01Å; F47-W49 HydrophobicContact CE1-CB 3.88Å; F47-W49 AromaticContact CE1-CD1 3.8Å; F47-W49 HydrophobicContact CE1-CG 4.25Å; F47-W49 PolarHBondContact O-N 3.18Å; F47-T70 HydrophobicContact CD2-CG2 3.78Å; F47-T70 WeakPolarHBondContact CE1-O 3.4Å; F47-T70 HydrophobicContact CE2-CG2 4.03Å; F47-T70 HydrophobicContact CG-CG2 4.32Å; F47-T70 WeakPolarHBondContact CZ-O 3.44Å; F47-V72 HydrophobicContact CE1-CG2 4.22Å; F47-V72 HydrophobicContact CZ-CG2 4.16Å
48	V	80.9	Confident	83.1	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.012	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	118.7	169.4	-169.7	0	0	0	0	107.3	L40 E42 G46 N68 T70 I71	L40-V48 HydrophobicContact CB-CG1 3.99Å; L40-V48 HydrophobicContact CD2-CG1 4.36Å; E42-V48 HydrophobicContact CG-CG2 3.66Å; G46-V48 PolarHBondContact O-N 3.23Å; V48-N68 HydrophobicContact CB-CB 4.25Å; V48-N68 HydrophobicContact CG2-CB 3.81Å; V48-T70 PolarHBondContact N-OG1 3.01Å; V48-T70 VanDerWaalsContact N-OG1 3.07Å; V48-T70 CarbonylContact O-C 3.57Å; V48-T70 PolarHBondContact O-OG1 2.88Å; V48-I71 HydrophobicContact CB-CD1 4.09Å; V48-I71 HydrophobicContact CB-CG1 3.78Å; V48-I71 HydrophobicContact CG1-CD1 3.72Å; V48-I71 HydrophobicContact CG1-CG1 3.63Å; V48-I71 WeakPolarHBondContact O-CA 3.36Å; V48-I71 VanDerWaalsContact O-CG1 3.29Å; V48-I71 WeakPolarHBondContact O-CG1 3.36Å; V48-I71 PolarHBondContact O-N 3.19Å
49	W	87.6	Confident	83.3	Confident	131 Å²	131	76.3 Å²	76.3	50%	0.496	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-40.8	178.9	-173.7	89.2	0	0	0	111.9	I41 F47 V72 D73	I41-W49 PolarHBondContact O-N 3.41Å; I41-W49 VanDerWaalsContact O-N 3.12Å; F47-W49 HydrophobicContact CD1-CB 4.01Å; F47-W49 HydrophobicContact CE1-CB 3.88Å; F47-W49 AromaticContact CE1-CD1 3.8Å; F47-W49 HydrophobicContact CE1-CG 4.25Å; F47-W49 PolarHBondContact O-N 3.18Å; W49-V72 HydrophobicContact CD2-CB 4.23Å; W49-V72 HydrophobicContact CG-CB 4.14Å; W49-V72 HydrophobicContact CG-CG2 4.3Å; W49-V72 HydrophobicContact CZ2-CB 4.39Å; W49-V72 HydrophobicContact CZ2-CG1 3.92Å; W49-V72 PolarHBondContact O-N 2.93Å; W49-D73 HydrophobicContact CZ3-CB 4.33Å; W49-D73 PolarHBondContact O-N 3.3Å
50	L	91.3	Very high	83.6	Confident	23 Å²	23	68.9 Å²	68.9	12%	0.12	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.5	-177.8	163.5	60.9	0	0	0	110.5	I41 I52 D73 R75	I41-L50 HydrophobicContact CB-CB 4.32Å; I41-L50 HydrophobicContact CD1-CD2 3.73Å; I41-L50 HydrophobicContact CD1-CG 4.1Å; I41-L50 PolarHBondContact N-O 3.05Å; L50-I52 HydrophobicContact CD1-CD1 4.43Å; L50-I52 HydrophobicContact CD1-CG1 3.77Å; L50-I52 HydrophobicContact CD2-CD1 4.26Å; L50-I52 HydrophobicContact CD2-CG1 4.41Å; L50-I52 HydrophobicContact CG-CD1 4.4Å; L50-I52 HydrophobicContact CG-CG1 4.03Å; L50-D73 WeakPolarHBondContact CA-O 3.45Å; L50-D73 HydrophobicContact CB-CB 4.42Å; L50-D73 HydrophobicContact CD1-CB 3.79Å; L50-D73 VanDerWaalsContact CD1-CG 3.46Å; L50-R75 HydrophobicContact CD1-CG 4.24Å
51	A	91.9	Very high	83.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116.5	172	0	0	0	0	0	111.2	L40 I67 I71 D73 L74 R75	L40-A51 HydrophobicContact CD2-CB 3.58Å; A51-I67 HydrophobicContact CB-CG2 4.48Å; A51-I71 HydrophobicContact CB-CD1 3.65Å; A51-I71 HydrophobicContact CB-CG1 4.47Å; A51-D73 PolarHBondContact N-O 2.96Å; A51-L74 HydrophobicContact CB-CD1 3.91Å; A51-R75 PolarHBondContact O-N 3.34Å
52	I	91.1	Very high	84.2	Confident	58 Å²	58	69.6 Å²	69.6	30%	0.297	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	107.7	178.1	-54.2	176.2	0	0	0	108.9	C38 W39 L50	C38-I52 CarbonylContact C-O 3.6Å; C38-I52 WeakPolarHBondContact CA-O 3.45Å; W39-I52 HydrophobicContact CB-CB 4.17Å; W39-I52 PolarHBondContact N-O 3.38Å; W39-I52 PolarHBondContact O-N 3.23Å; L50-I52 HydrophobicContact CD1-CD1 4.43Å; L50-I52 HydrophobicContact CD1-CG1 3.77Å; L50-I52 HydrophobicContact CD2-CD1 4.26Å; L50-I52 HydrophobicContact CD2-CG1 4.41Å; L50-I52 HydrophobicContact CG-CD1 4.4Å; L50-I52 HydrophobicContact CG-CG1 4.03Å
53	C	91.1	Very high	84.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.335	C	S	.	.			trans	-116.2	24.3	-176.3	-64.1	0	0	0	0	112	C38 N56 Y60 I67 R75 L76 N79	C38-C53 HydrophobicContact CB-CB 4.14Å; C38-C53 WeakPolarHBondContact CB-SG 3.39Å; C38-C53 WeakPolarHBondContact SG-CB 3.28Å; C38-C53 CovalentContact SG-SG 2.04Å; C38-C53 PolarHBondContact SG-SG 3.36Å; C53-N56 PolarHBondContact O-ND2 3.49Å; C53-Y60 HydrophobicContact CB-CD2 4.35Å; C53-Y60 HydrophobicContact CB-CE2 3.93Å; C53-I67 WeakPolarHBondContact SG-CD1 3.47Å; C53-R75 WeakPolarHBondContact CA-O 3.29Å; C53-R75 WeakPolarHBondContact CB-O 3.39Å; C53-R75 PolarHBondContact N-O 3.34Å; C53-L76 HydrophobicContact CB-CD2 3.45Å; C53-L76 VanDerWaalsContact CB-CD2 3.45Å; C53-L76 HydrophobicContact CB-CG 4.14Å; C53-N79 PolarHBondContact O-ND2 2.93Å
54	S	87.6	Confident	85.2	Confident	32 Å²	32	62.1 Å²	62.1	22%	0.224	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	141.3	-169	-41.4	0	0	0	0	113	N56 N77	S54-N56 PolarHBondContact O-N 2.85Å; S54-N56 PolarHBondContact O-OD1 2.91Å; S54-N77 VanDerWaalsContact CA-O 3.27Å; S54-N77 WeakPolarHBondContact CA-O 3.25Å; S54-N77 WeakPolarHBondContact CB-OD1 3.49Å; S54-N77 PolarHBondContact OG-OD1 2.94Å
55	Q	85.6	Confident	85.9	Confident	108 Å²	108	61.9 Å²	61.9	51%	0.505	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	27.6	177.8	-57.7	178.3	-6	0	0	115.2	N77 E78	Q55-N77 PolarHBondContact N-O 3.45Å; Q55-E78 WeakPolarHBondContact CA-O 3.16Å; Q55-E78 HydrophobicContact CG-CB 3.77Å; Q55-E78 WeakPolarHBondContact CG-OE2 3.3Å; Q55-E78 PolarHBondContact NE2-OE2 3.43Å
56	N	83.3	Confident	86.2	Confident	17 Å²	17	58.6 Å²	58.6	9%	0.091	30%	0.303	C	S	.	.			trans	-64.2	154.8	-171.7	-79	0.7	0	0	0	113.6	G36 C53 S54 P58 P59 Y60	G36-N56 WeakPolarHBondContact O-CB 3.34Å; G36-N56 PolarHBondContact O-ND2 3.38Å; G36-N56 PolarHBondContact O-OD1 2.81Å; C53-N56 PolarHBondContact O-ND2 3.49Å; S54-N56 PolarHBondContact O-N 2.85Å; S54-N56 PolarHBondContact O-OD1 2.91Å; N56-P58 CarbonylContact C-O 3.59Å; N56-P58 CarbonylContact O-C 3.52Å; N56-P59 WeakPolarHBondContact O-CA 3.45Å; N56-P59 VanDerWaalsContact O-N 3.08Å; N56-Y60 HydrophobicContact CB-CE2 4.33Å; N56-Y60 WeakPolarHBondContact ND2-CE2 3.34Å; N56-Y60 PolarHBondContact ND2-OH 3.42Å
57	Q	78.9	Confident	86.9	Confident	105 Å²	105	57.2 Å²	57.2	49%	0.491	29%	0.288	S	S	.	.	S	Bend	trans	-131.4	114	177.3	-65.9	-160.5	27.1	0	0	110.7	G36	G36-Q57 PolarHBondContact N-O 2.87Å
58	P	84	Confident	87.2	Confident	91 Å²	91	56.5 Å²	56.5	59%	0.591	29%	0.287	S	S	*	.	S	Bend	cis	-61.2	149.4	-6.2	29.2	-36	0	0	0	112.3	N56	N56-P58 CarbonylContact C-O 3.59Å; N56-P58 CarbonylContact O-C 3.52Å
59	P	87.8	Confident	87.5	Confident	50 Å²	50	61 Å²	61	33%	0.325	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-69.7	146.1	176.8	30	-35.7	0	0	0	110.3	N56 E61 K80	N56-P59 WeakPolarHBondContact O-CA 3.45Å; N56-P59 VanDerWaalsContact O-N 3.08Å; P59-E61 PolarHBondContact O-N 3.39Å; P59-K80 HydrophobicContact CB-CB 4.48Å; P59-K80 HydrophobicContact CB-CD 4.42Å; P59-K80 HydrophobicContact CB-CG 4.12Å; P59-K80 HydrophobicContact CG-CD 3.75Å; P59-K80 HydrophobicContact CG-CG 4.02Å
60	Y	90.8	Very high	87.5	Confident	38 Å²	38	55.9 Å²	55.9	15%	0.149	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-71.5	127.7	178.3	-67.6	-51.8	0	0	0	111.7	C38 C53 N56 P64 L76 N79 K80 I81	C38-Y60 PolarHBondContact SG-OH 3.39Å; C38-Y60 VanDerWaalsContact SG-OH 3.42Å; C53-Y60 HydrophobicContact CB-CD2 4.35Å; C53-Y60 HydrophobicContact CB-CE2 3.93Å; N56-Y60 HydrophobicContact CB-CE2 4.33Å; N56-Y60 WeakPolarHBondContact ND2-CE2 3.34Å; N56-Y60 PolarHBondContact ND2-OH 3.42Å; Y60-P64 HydrophobicContact CD1-CB 4.31Å; Y60-P64 HydrophobicContact CD2-CG 4.1Å; Y60-P64 HydrophobicContact CE1-CB 3.98Å; Y60-P64 HydrophobicContact CE1-CG 4.33Å; Y60-P64 HydrophobicContact CE2-CB 4.37Å; Y60-P64 HydrophobicContact CE2-CG 3.85Å; Y60-P64 HydrophobicContact CG-CG 4.44Å; Y60-L76 HydrophobicContact CD2-CD2 3.87Å; Y60-L76 HydrophobicContact CE2-CD2 4.4Å; Y60-N79 PolarHBondContact N-OD1 3.19Å; Y60-K80 CarbonylContact O-C 3.57Å; Y60-K80 WeakPolarHBondContact O-CA 3.24Å; Y60-K80 PolarHBondContact O-N 2.99Å; Y60-I81 PolarHBondContact O-N 3.39Å; Y60-I81 VanDerWaalsContact O-N 3.12Å
61	E	92.4	Very high	87.6	Confident	111 Å²	111	54.8 Å²	54.8	52%	0.519	29%	0.289	S	S	.	.	S	Bend	trans	-90.5	-12.8	170.8	-57.8	-151.1	153.8	0	0	113.4	P59 K80 I81 K82	P59-E61 PolarHBondContact O-N 3.39Å; E61-K80 WeakPolarHBondContact CA-O 3.41Å; E61-K80 HydrophobicContact CG-CB 4.42Å; E61-I81 WeakPolarHBondContact O-CA 3.47Å; E61-K82 PolarHBondContact O-N 3.41Å; E61-K82 IonicContact OE1-NZ 2.65Å; E61-K82 PolarHBondContact OE1-NZ 3.28Å; E61-K82 IonicContact OE2-NZ 2.76Å; E61-K82 PolarHBondContact OE2-NZ 3.49Å
62	A	92.1	Very high	87.6	Confident	54 Å²	54	55.7 Å²	55.7	45%	0.446	29%	0.294	S	S	.	.	S	Bend	trans	-150.8	159.7	175.9	0	0	0	0	0	109.3
63	I	91.8	Very high	87.8	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.282	C	S	.	.			trans	-63	124	-177.6	-59.2	177.2	0	0	0	109.9	Q65 L76 I81 I84 L89 F92	I63-Q65 PolarHBondContact O-N 2.69Å; I63-L76 HydrophobicContact CG1-CD1 4.22Å; I63-L76 HydrophobicContact CG2-CD1 4.03Å; I63-I81 HydrophobicContact CG1-CD1 4.2Å; I63-I84 HydrophobicContact CD1-CG2 4.29Å; I63-L89 HydrophobicContact CD1-CD1 4.36Å; I63-L89 HydrophobicContact CD1-CD2 3.61Å; I63-L89 HydrophobicContact CD1-CG 3.77Å; I63-F92 HydrophobicContact CG2-CE2 4.15Å
64	P	87.9	Confident	88	Confident	10 Å²	10	53.2 Å²	53.2	7%	0.065	28%	0.282	C	S	.	.			trans	-65.9	127.7	-173	24.4	-35.3	0	0	0	113.3	Y60 H66 I67 L76	Y60-P64 HydrophobicContact CD1-CB 4.31Å; Y60-P64 HydrophobicContact CD2-CG 4.1Å; Y60-P64 HydrophobicContact CE1-CB 3.98Å; Y60-P64 HydrophobicContact CE1-CG 4.33Å; Y60-P64 HydrophobicContact CE2-CB 4.37Å; Y60-P64 HydrophobicContact CE2-CG 3.85Å; Y60-P64 HydrophobicContact CG-CG 4.44Å; P64-H66 PolarHBondContact O-N 3.24Å; P64-I67 HydrophobicContact CB-CD1 4.35Å; P64-I67 HydrophobicContact CB-CG1 4.31Å; P64-I67 HydrophobicContact CG-CD1 3.48Å; P64-I67 VanDerWaalsContact CG-CD1 3.48Å; P64-I67 HydrophobicContact CG-CG1 3.96Å; P64-L76 HydrophobicContact CG-CD2 4.26Å
65	Q	84.7	Confident	88.4	Confident	153 Å²	153	53.8 Å²	53.8	72%	0.715	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.2	-174.8	-61.9	-174.7	-3.7	0	0	114.9	I63 I67 R91	I63-Q65 PolarHBondContact O-N 2.69Å; Q65-I67 VanDerWaalsContact C-N 3.27Å; Q65-I67 PolarHBondContact O-N 2.93Å; Q65-R91 PolarHBondContact O-NH1 2.9Å
66	H	80.6	Confident	88.9	Confident	131 Å²	131	48.6 Å²	48.6	61%	0.606	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	0.7	-176.1	58.7	-106.2	0	0	0	113.9	P64	P64-H66 PolarHBondContact O-N 3.24Å
67	I	84.9	Confident	89.4	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.036	26%	0.259	C	S	.	.	S	Bend	trans	-81.1	139.5	-179.9	-65.9	-166	0	0	0	110.6	A51 C53 P64 Q65 I71 L74 F92	A51-I67 HydrophobicContact CB-CG2 4.48Å; C53-I67 WeakPolarHBondContact SG-CD1 3.47Å; P64-I67 HydrophobicContact CB-CD1 4.35Å; P64-I67 HydrophobicContact CB-CG1 4.31Å; P64-I67 HydrophobicContact CG-CD1 3.48Å; P64-I67 VanDerWaalsContact CG-CD1 3.48Å; P64-I67 HydrophobicContact CG-CG1 3.96Å; Q65-I67 VanDerWaalsContact C-N 3.27Å; Q65-I67 PolarHBondContact O-N 2.93Å; I67-I71 HydrophobicContact CG2-CD1 3.15Å; I67-L74 HydrophobicContact CD1-CD1 4.15Å; I67-F92 HydrophobicContact CB-CE1 4.26Å; I67-F92 HydrophobicContact CB-CZ 4.19Å; I67-F92 HydrophobicContact CG2-CE1 3.79Å; I67-F92 HydrophobicContact CG2-CZ 4.07Å
68	N	84	Confident	90.2	Very high	59 Å²	59	47.3 Å²	47.3	32%	0.316	25%	0.249	S	C	.	.			trans	-65.5	147.8	-175.3	-162.4	-1	0	0	0	112.5	V48 T70 F92	V48-N68 HydrophobicContact CB-CB 4.25Å; V48-N68 HydrophobicContact CG2-CB 3.81Å; N68-T70 VanDerWaalsContact C-N 3.28Å; N68-T70 PolarHBondContact ND2-OG1 2.97Å; N68-T70 PolarHBondContact O-N 3.39Å; N68-F92 WeakPolarHBondContact O-CE1 3.27Å
69	N	87.3	Confident	90.7	Very high	96 Å²	96	43.4 Å²	43.4	51%	0.513	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9	-175.8	70	-14.9	0	0	0	114.4	I71 R91	N69-I71 VanDerWaalsContact C-N 3.31Å; N69-I71 PolarHBondContact O-N 3.41Å; N69-R91 HydrophobicContact CB-CB 4.38Å; N69-R91 HydrophobicContact CB-CG 4.47Å; N69-R91 WeakPolarHBondContact CB-O 3.49Å
70	T	89.3	Confident	91	Very high	25 Å²	25	45.1 Å²	45.1	15%	0.153	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16	-177.1	51.7	0	0	0	0	115	F47 V48 N68	F47-T70 HydrophobicContact CD2-CG2 3.78Å; F47-T70 WeakPolarHBondContact CE1-O 3.4Å; F47-T70 HydrophobicContact CE2-CG2 4.03Å; F47-T70 HydrophobicContact CG-CG2 4.32Å; F47-T70 WeakPolarHBondContact CZ-O 3.44Å; V48-T70 PolarHBondContact N-OG1 3.01Å; V48-T70 VanDerWaalsContact N-OG1 3.07Å; V48-T70 CarbonylContact O-C 3.57Å; V48-T70 PolarHBondContact O-OG1 2.88Å; N68-T70 VanDerWaalsContact C-N 3.28Å; N68-T70 PolarHBondContact ND2-OG1 2.97Å; N68-T70 PolarHBondContact O-N 3.39Å
71	I	91.6	Very high	91.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.			trans	-63.4	146	-163.9	-76.5	157.9	0	0	0	114.7	V48 A51 I67 N69 D73 L74 N94 L95	V48-I71 HydrophobicContact CB-CD1 4.09Å; V48-I71 HydrophobicContact CB-CG1 3.78Å; V48-I71 HydrophobicContact CG1-CD1 3.72Å; V48-I71 HydrophobicContact CG1-CG1 3.63Å; V48-I71 WeakPolarHBondContact O-CA 3.36Å; V48-I71 VanDerWaalsContact O-CG1 3.29Å; V48-I71 WeakPolarHBondContact O-CG1 3.36Å; V48-I71 PolarHBondContact O-N 3.19Å; A51-I71 HydrophobicContact CB-CD1 3.65Å; A51-I71 HydrophobicContact CB-CG1 4.47Å; I67-I71 HydrophobicContact CG2-CD1 3.15Å; N69-I71 VanDerWaalsContact C-N 3.31Å; N69-I71 PolarHBondContact O-N 3.41Å; I71-D73 VanDerWaalsContact CG2-O 3.23Å; I71-D73 WeakPolarHBondContact CG2-O 3.24Å; I71-L74 HydrophobicContact CG2-CB 4.14Å; I71-N94 CarbonylContact O-C 3.5Å; I71-L95 HydrophobicContact CG2-CD1 3.93Å; I71-L95 PolarHBondContact O-N 3.48Å
72	V	93.8	Very high	91.5	Very high	18 Å²	18	42.1 Å²	42.1	11%	0.109	21%	0.212	C	C	.	.	S	Bend	trans	-116	-38.9	-176.5	179.6	0	0	0	0	111.1	F47 W49 N94 L95 T96 Y97	F47-V72 HydrophobicContact CE1-CG2 4.22Å; F47-V72 HydrophobicContact CZ-CG2 4.16Å; W49-V72 HydrophobicContact CD2-CB 4.23Å; W49-V72 HydrophobicContact CG-CB 4.14Å; W49-V72 HydrophobicContact CG-CG2 4.3Å; W49-V72 HydrophobicContact CZ2-CB 4.39Å; W49-V72 HydrophobicContact CZ2-CG1 3.92Å; W49-V72 PolarHBondContact O-N 2.93Å; V72-N94 HydrophobicContact CG2-CB 4.25Å; V72-L95 WeakPolarHBondContact O-CD1 3.29Å; V72-T96 HydrophobicContact CG1-CG2 3.92Å; V72-T96 WeakPolarHBondContact CG1-OG1 3.3Å; V72-T96 PolarHBondContact O-N 3.01Å; V72-T96 PolarHBondContact O-OG1 3.02Å; V72-Y97 PolarHBondContact O-N 2.93Å
73	D	95.1	Very high	91.7	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.3	171.4	-178.9	-14.8	0	0	0	111	W49 L50 A51 I71 R75 Y97	W49-D73 HydrophobicContact CZ3-CB 4.33Å; W49-D73 PolarHBondContact O-N 3.3Å; L50-D73 WeakPolarHBondContact CA-O 3.45Å; L50-D73 HydrophobicContact CB-CB 4.42Å; L50-D73 HydrophobicContact CD1-CB 3.79Å; L50-D73 VanDerWaalsContact CD1-CG 3.46Å; A51-D73 PolarHBondContact N-O 2.96Å; I71-D73 VanDerWaalsContact CG2-O 3.23Å; I71-D73 WeakPolarHBondContact CG2-O 3.24Å; D73-R75 WeakPolarHBondContact OD1-CG 3.5Å; D73-R75 IonicContact OD1-NE 2.68Å; D73-R75 PolarHBondContact OD1-NE 2.94Å; D73-R75 IonicContact OD2-CZ 2.68Å; D73-R75 VanDerWaalsContact OD2-CZ 3.24Å; D73-R75 IonicContact OD2-NE 3.8Å; D73-R75 PolarHBondContact OD2-NE 2.87Å; D73-R75 IonicContact OD2-NH2 2.63Å; D73-R75 PolarHBondContact OD2-NH2 3.26Å; D73-Y97 WeakPolarHBondContact OD1-CD1 3.32Å
74	L	95.3	Very high	91.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.4	177.4	-179.4	58.7	0	0	0	111.2	A51 I67 I71 L76 F92 L95 Y97 L98 N99	A51-L74 HydrophobicContact CB-CD1 3.91Å; I67-L74 HydrophobicContact CD1-CD1 4.15Å; I71-L74 HydrophobicContact CG2-CB 4.14Å; L74-L76 HydrophobicContact CD1-CD1 4.03Å; L74-L76 HydrophobicContact CD1-CG 4.12Å; L74-L76 HydrophobicContact CD2-CD1 3.77Å; L74-L76 HydrophobicContact CG-CD1 3.76Å; L74-L76 HydrophobicContact CG-CG 4.17Å; L74-F92 HydrophobicContact CD2-CD2 4.28Å; L74-F92 HydrophobicContact CD2-CE2 4.08Å; L74-F92 HydrophobicContact CD2-CZ 4.43Å; L74-L95 HydrophobicContact CB-CD1 3.65Å; L74-Y97 PolarHBondContact N-O 3.39Å; L74-L98 HydrophobicContact CB-CD1 4.17Å; L74-L98 HydrophobicContact CD2-CD1 4.14Å; L74-L98 HydrophobicContact CG-CD1 4.16Å; L74-N99 PolarHBondContact O-N 3Å
75	R	95.4	Very high	92.3	Very high	43 Å²	43	43.2 Å²	43.2	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	106	-178.7	-48.7	-170.1	-179.3	-164.1	-1	110.5	L50 A51 C53 D73 Y97 D771	L50-R75 HydrophobicContact CD1-CG 4.24Å; A51-R75 PolarHBondContact O-N 3.34Å; C53-R75 WeakPolarHBondContact CA-O 3.29Å; C53-R75 WeakPolarHBondContact CB-O 3.39Å; C53-R75 PolarHBondContact N-O 3.34Å; D73-R75 WeakPolarHBondContact OD1-CG 3.5Å; D73-R75 IonicContact OD1-NE 2.68Å; D73-R75 PolarHBondContact OD1-NE 2.94Å; D73-R75 IonicContact OD2-CZ 2.68Å; D73-R75 VanDerWaalsContact OD2-CZ 3.24Å; D73-R75 IonicContact OD2-NE 3.8Å; D73-R75 PolarHBondContact OD2-NE 2.87Å; D73-R75 IonicContact OD2-NH2 2.63Å; D73-R75 PolarHBondContact OD2-NH2 3.26Å; R75-Y97 HydrophobicContact CG-CE1 4.45Å; R75-D771 IonicContact CZ-OD1 3.02Å; R75-D771 IonicContact NH1-OD1 3.7Å; R75-D771 PolarHBondContact NH1-OD1 2.9Å
76	L	95	Very high	92.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.			trans	-118.3	18.6	-177.2	-80.2	162.5	0	0	0	112.3	C53 Y60 I63 P64 L74 N79 I81 N99 L100 N103	C53-L76 HydrophobicContact CB-CD2 3.45Å; C53-L76 VanDerWaalsContact CB-CD2 3.45Å; C53-L76 HydrophobicContact CB-CG 4.14Å; Y60-L76 HydrophobicContact CD2-CD2 3.87Å; Y60-L76 HydrophobicContact CE2-CD2 4.4Å; I63-L76 HydrophobicContact CG1-CD1 4.22Å; I63-L76 HydrophobicContact CG2-CD1 4.03Å; P64-L76 HydrophobicContact CG-CD2 4.26Å; L74-L76 HydrophobicContact CD1-CD1 4.03Å; L74-L76 HydrophobicContact CD1-CG 4.12Å; L74-L76 HydrophobicContact CD2-CD1 3.77Å; L74-L76 HydrophobicContact CG-CD1 3.76Å; L74-L76 HydrophobicContact CG-CG 4.17Å; L76-N79 PolarHBondContact O-ND2 3.28Å; L76-I81 HydrophobicContact CB-CD1 4.05Å; L76-I81 HydrophobicContact CD1-CD1 4.3Å; L76-I81 HydrophobicContact CD2-CD1 4.32Å; L76-I81 HydrophobicContact CG-CD1 4.47Å; L76-N99 CarbonylContact C-O 3.17Å; L76-N99 WeakPolarHBondContact CA-O 3.41Å; L76-N99 PolarHBondContact N-O 3.34Å; L76-L100 HydrophobicContact CB-CD2 3.78Å; L76-L100 HydrophobicContact CD1-CD2 4.13Å; L76-N103 PolarHBondContact O-ND2 3.35Å
77	N	95.1	Very high	93.3	Very high	31 Å²	31	37.7 Å²	37.7	17%	0.166	19%	0.192	C	C	.	.			trans	-63.5	152.3	-179.6	61.2	-66.6	0	0	0	113.5	S54 Q55 N79 N99 T101	S54-N77 VanDerWaalsContact CA-O 3.27Å; S54-N77 WeakPolarHBondContact CA-O 3.25Å; S54-N77 WeakPolarHBondContact CB-OD1 3.49Å; S54-N77 PolarHBondContact OG-OD1 2.94Å; Q55-N77 PolarHBondContact N-O 3.45Å; N77-N79 PolarHBondContact O-N 2.88Å; N77-N79 PolarHBondContact O-ND2 3.41Å; N77-N99 PolarHBondContact N-O 3.01Å; N77-T101 CarbonylContact C-O 3.53Å; N77-T101 WeakPolarHBondContact CA-O 3.39Å; N77-T101 VanDerWaalsContact CB-O 3.27Å; N77-T101 WeakPolarHBondContact CB-O 3.48Å
78	E	94.4	Very high	93.7	Very high	63 Å²	63	38.1 Å²	38.1	29%	0.294	20%	0.196	S	C	.	.	S	Bend	trans	59	42.7	178.9	-60.9	-176.3	-167	0	0	113.5	Q55 T101 K102	Q55-E78 WeakPolarHBondContact CA-O 3.16Å; Q55-E78 HydrophobicContact CG-CB 3.77Å; Q55-E78 WeakPolarHBondContact CG-OE2 3.3Å; Q55-E78 PolarHBondContact NE2-OE2 3.43Å; E78-T101 PolarHBondContact N-O 3.14Å; E78-K102 VanDerWaalsContact CA-O 3.26Å; E78-K102 WeakPolarHBondContact CA-O 3.42Å; E78-K102 HydrophobicContact CG-CB 3.8Å; E78-K102 HydrophobicContact CG-CD 3.52Å; E78-K102 HydrophobicContact CG-CG 4.35Å; E78-K102 PolarHBondContact N-O 2.99Å; E78-K102 WeakPolarHBondContact OE1-CD 3.35Å; E78-K102 WeakPolarHBondContact OE1-CE 3.31Å; E78-K102 IonicContact OE1-NZ 3.73Å; E78-K102 PolarHBondContact OE1-NZ 3.41Å
79	N	94.4	Very high	94.1	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.053	18%	0.181	C	C	.	.	S	Bend	trans	-113	-158.6	170.1	-79.1	-79.2	0	0	0	110.3	C53 Y60 L76 N77 I81 N103	C53-N79 PolarHBondContact O-ND2 2.93Å; Y60-N79 PolarHBondContact N-OD1 3.19Å; L76-N79 PolarHBondContact O-ND2 3.28Å; N77-N79 PolarHBondContact O-N 2.88Å; N77-N79 PolarHBondContact O-ND2 3.41Å; N79-I81 HydrophobicContact CB-CG1 4.38Å; N79-N103 WeakPolarHBondContact CA-OD1 3.44Å; N79-N103 WeakPolarHBondContact CB-OD1 3.45Å; N79-N103 PolarHBondContact O-OD1 3.22Å
80	K	95.6	Very high	94.4	Very high	86 Å²	86	33 Å²	33	37%	0.374	17%	0.172	S	C	.	.			trans	-126.2	31.2	179.8	-70.5	-173.4	162.2	-94.9	0	112.6	P59 Y60 E61 K82 N103 E104	P59-K80 HydrophobicContact CB-CB 4.48Å; P59-K80 HydrophobicContact CB-CD 4.42Å; P59-K80 HydrophobicContact CB-CG 4.12Å; P59-K80 HydrophobicContact CG-CD 3.75Å; P59-K80 HydrophobicContact CG-CG 4.02Å; Y60-K80 CarbonylContact O-C 3.57Å; Y60-K80 WeakPolarHBondContact O-CA 3.24Å; Y60-K80 PolarHBondContact O-N 2.99Å; E61-K80 WeakPolarHBondContact CA-O 3.41Å; E61-K80 HydrophobicContact CG-CB 4.42Å; K80-K82 PolarHBondContact O-N 3.49Å; K80-N103 PolarHBondContact N-OD1 3.43Å; K80-E104 IonicContact NZ-OE1 2.81Å; K80-E104 PolarHBondContact NZ-OE1 3.3Å
81	I	96.4	Very high	94.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.			trans	-63	126.8	-178.8	-59.1	171.6	0	0	0	108.6	Y60 E61 I63 L76 N79 S83 L100 N103 E104 I105	Y60-I81 PolarHBondContact O-N 3.39Å; Y60-I81 VanDerWaalsContact O-N 3.12Å; E61-I81 WeakPolarHBondContact O-CA 3.47Å; I63-I81 HydrophobicContact CG1-CD1 4.2Å; L76-I81 HydrophobicContact CB-CD1 4.05Å; L76-I81 HydrophobicContact CD1-CD1 4.3Å; L76-I81 HydrophobicContact CD2-CD1 4.32Å; L76-I81 HydrophobicContact CG-CD1 4.47Å; N79-I81 HydrophobicContact CB-CG1 4.38Å; I81-S83 WeakPolarHBondContact CG2-O 3.45Å; I81-L100 HydrophobicContact CD1-CD2 3.79Å; I81-N103 HydrophobicContact CB-CB 4.27Å; I81-N103 WeakPolarHBondContact CB-OD1 3.37Å; I81-N103 WeakPolarHBondContact CG1-OD1 3.25Å; I81-N103 PolarHBondContact N-OD1 2.93Å; I81-E104 CarbonylContact O-C 3.06Å; I81-E104 WeakPolarHBondContact O-CA 3.35Å; I81-E104 PolarHBondContact O-N 3.09Å; I81-I105 HydrophobicContact CB-CG1 4.22Å; I81-I105 HydrophobicContact CG2-CD1 4.33Å; I81-I105 HydrophobicContact CG2-CG1 4.08Å; I81-I105 WeakPolarHBondContact O-CA 3.47Å; I81-I105 WeakPolarHBondContact O-CG1 3.48Å; I81-I105 PolarHBondContact O-N 3.44Å
82	K	96.2	Very high	94.7	Very high	86 Å²	86	35.1 Å²	35.1	37%	0.374	18%	0.177	S	C	.	.			trans	-103.3	-31.8	-174.2	-68.8	159.3	-166.7	167.5	0	113.4	E61 K80 E104 I105 S106	E61-K82 PolarHBondContact O-N 3.41Å; E61-K82 IonicContact OE1-NZ 2.65Å; E61-K82 PolarHBondContact OE1-NZ 3.28Å; E61-K82 IonicContact OE2-NZ 2.76Å; E61-K82 PolarHBondContact OE2-NZ 3.49Å; K80-K82 PolarHBondContact O-N 3.49Å; K82-E104 HydrophobicContact CG-CB 4.33Å; K82-I105 WeakPolarHBondContact O-CA 3.47Å; K82-S106 PolarHBondContact O-N 3.24Å
83	S	96.1	Very high	94.6	Very high	33 Å²	33	35.9 Å²	35.9	23%	0.231	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.1	176.6	59.2	0	0	0	0	112.4	I81 H85 Y107	I81-S83 WeakPolarHBondContact CG2-O 3.45Å; S83-H85 PolarHBondContact OG-CD2 2.92Å; S83-H85 VanDerWaalsContact OG-CD2 3.32Å; S83-H85 PolarHBondContact OG-NE2 3.38Å; S83-Y107 VanDerWaalsContact CA-O 3.22Å; S83-Y107 WeakPolarHBondContact CA-O 3.37Å
84	I	96.4	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.4	168.4	-47.8	178	0	0	0	108.2	I63 L89 L100 I105 Y107 I108 E109 A112 F113 M124	I63-I84 HydrophobicContact CD1-CG2 4.29Å; I84-L89 HydrophobicContact CG2-CD1 3.52Å; I84-L89 HydrophobicContact CG2-CG 4.17Å; I84-L100 HydrophobicContact CD1-CD1 3.58Å; I84-L100 HydrophobicContact CG1-CD1 4.45Å; I84-I105 HydrophobicContact CD1-CD1 4.19Å; I84-I105 HydrophobicContact CD1-CG2 4.46Å; I84-I105 HydrophobicContact CG1-CD1 4.25Å; I84-I105 HydrophobicContact CG1-CG2 4.15Å; I84-Y107 PolarHBondContact N-O 2.9Å; I84-Y107 VanDerWaalsContact N-O 3.11Å; I84-I108 HydrophobicContact CB-CG1 4.18Å; I84-I108 HydrophobicContact CB-CG2 4.26Å; I84-I108 HydrophobicContact CD1-CD1 3.87Å; I84-I108 HydrophobicContact CD1-CG1 3.89Å; I84-I108 HydrophobicContact CG1-CG1 4.08Å; I84-E109 PolarHBondContact O-N 2.88Å; I84-A112 HydrophobicContact CG2-CB 4.07Å; I84-F113 HydrophobicContact CD1-CE1 4.19Å; I84-F113 HydrophobicContact CD1-CZ 3.62Å; I84-F113 HydrophobicContact CG2-CE1 4.39Å; I84-F113 HydrophobicContact CG2-CZ 4.49Å; I84-M124 HydrophobicContact CD1-SD 3.97Å
85	H	95.8	Very high	94.5	Very high	60 Å²	60	39 Å²	39	28%	0.278	20%	0.202	S	C	.	.			trans	-122.3	148.8	178.7	-70.3	-75.3	0	0	0	111	S83 S87 S88 L89 Y107 E109	S83-H85 PolarHBondContact OG-CD2 2.92Å; S83-H85 VanDerWaalsContact OG-CD2 3.32Å; S83-H85 PolarHBondContact OG-NE2 3.38Å; H85-S87 VanDerWaalsContact C-N 3.27Å; H85-S87 PolarHBondContact O-N 3.3Å; H85-S88 WeakPolarHBondContact O-CA 3.48Å; H85-S88 VanDerWaalsContact O-CB 3.24Å; H85-S88 WeakPolarHBondContact O-CB 3.42Å; H85-S88 PolarHBondContact O-N 2.85Å; H85-L89 PolarHBondContact O-N 3.21Å; H85-Y107 AromaticContact CE1-CE1 3.94Å; H85-E109 WeakPolarHBondContact CA-OE2 3.48Å; H85-E109 WeakPolarHBondContact CB-OE2 3.45Å; H85-E109 IonicContact CG-OE2 2.84Å; H85-E109 IonicContact ND1-OE2 3.41Å; H85-E109 PolarHBondContact ND1-OE2 3.02Å; H85-E109 VanDerWaalsContact ND1-OE2 3.09Å
86	F	94.9	Very high	94.6	Very high	88 Å²	88	38.8 Å²	38.8	39%	0.386	21%	0.206	S	C	.	.	H	α-helix	trans	-55.5	-44.6	176.7	172.7	-106	0	0	0	111.4	S88 L89 S90 E109 G111 S114 A115	F86-S88 PolarHBondContact O-N 2.92Å; F86-S88 VanDerWaalsContact O-N 3.09Å; F86-L89 PolarHBondContact O-N 3.37Å; F86-S90 WeakPolarHBondContact O-CB 3.39Å; F86-S90 PolarHBondContact O-N 3.03Å; F86-S90 PolarHBondContact O-OG 3.21Å; F86-E109 PolarHBondContact N-OE2 3.4Å; F86-G111 WeakPolarHBondContact CD2-O 3.43Å; F86-S114 WeakPolarHBondContact CD2-OG 3.35Å; F86-S114 VanDerWaalsContact CE2-OG 3.31Å; F86-S114 WeakPolarHBondContact CE2-OG 3.49Å; F86-A115 HydrophobicContact CE2-CB 4.06Å
87	S	93.2	Very high	94.7	Very high	79 Å²	79	41.2 Å²	41.2	55%	0.552	22%	0.215	S	C	*	.	H	α-helix	trans	-60.7	-17.7	175.9	61.6	0	0	0	0	114.8	H85 R91	H85-S87 VanDerWaalsContact C-N 3.27Å; H85-S87 PolarHBondContact O-N 3.3Å; S87-R91 PolarHBondContact O-NH2 3.03Å
88	S	92.8	Very high	94.8	Very high	16 Å²	16	39.8 Å²	39.8	11%	0.112	21%	0.207	C	C	.	.	H	α-helix	trans	-82.9	-42.2	176.3	-63.4	0	0	0	0	111.9	H85 F86 R91	H85-S88 WeakPolarHBondContact O-CA 3.48Å; H85-S88 VanDerWaalsContact O-CB 3.24Å; H85-S88 WeakPolarHBondContact O-CB 3.42Å; H85-S88 PolarHBondContact O-N 2.85Å; F86-S88 PolarHBondContact O-N 2.92Å; F86-S88 VanDerWaalsContact O-N 3.09Å; S88-R91 PolarHBondContact O-NE 3Å; S88-R91 PolarHBondContact O-NH2 3.36Å
89	L	92.9	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-97.9	-21.8	-175	-73.5	175.9	0	0	0	115.1	I63 I84 H85 F86 R91 F92 L98 F113 Q116	I63-L89 HydrophobicContact CD1-CD1 4.36Å; I63-L89 HydrophobicContact CD1-CD2 3.61Å; I63-L89 HydrophobicContact CD1-CG 3.77Å; I84-L89 HydrophobicContact CG2-CD1 3.52Å; I84-L89 HydrophobicContact CG2-CG 4.17Å; H85-L89 PolarHBondContact O-N 3.21Å; F86-L89 PolarHBondContact O-N 3.37Å; L89-R91 PolarHBondContact O-N 3.07Å; L89-F92 HydrophobicContact CD2-CD2 3.9Å; L89-F92 HydrophobicContact CD2-CE2 4.29Å; L89-F92 WeakPolarHBondContact O-CD2 3.38Å; L89-F92 PolarHBondContact O-N 3.35Å; L89-L98 HydrophobicContact CD1-CD2 4.18Å; L89-L98 HydrophobicContact CD2-CD2 4.27Å; L89-F113 HydrophobicContact CD1-CD1 3.42Å; L89-F113 VanDerWaalsContact CD1-CD1 3.42Å; L89-F113 HydrophobicContact CD1-CE1 3.4Å; L89-F113 VanDerWaalsContact CD1-CE1 3.4Å; L89-Q116 PolarHBondContact O-NE2 3.07Å
90	S	93.4	Very high	95.1	Very high	47 Å²	47	37.1 Å²	37.1	33%	0.329	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-19.4	-169.3	60.8	0	0	0	0	116.2	F86	F86-S90 WeakPolarHBondContact O-CB 3.39Å; F86-S90 PolarHBondContact O-N 3.03Å; F86-S90 PolarHBondContact O-OG 3.21Å
91	R	92.6	Very high	95.2	Very high	70 Å²	70	34.1 Å²	34.1	26%	0.264	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.4	173.7	86.1	-163.1	89.5	-134.5	-12.1	113.8	Q65 N69 S87 S88 L89 A93	Q65-R91 PolarHBondContact O-NH1 2.9Å; N69-R91 HydrophobicContact CB-CB 4.38Å; N69-R91 HydrophobicContact CB-CG 4.47Å; N69-R91 WeakPolarHBondContact CB-O 3.49Å; S87-R91 PolarHBondContact O-NH2 3.03Å; S88-R91 PolarHBondContact O-NE 3Å; S88-R91 PolarHBondContact O-NH2 3.36Å; L89-R91 PolarHBondContact O-N 3.07Å; R91-A93 PolarHBondContact O-N 3.42Å
92	F	93.1	Very high	95.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.			trans	-93.4	64.4	-170.4	-50.2	-61.9	0	0	0	111.8	I63 I67 N68 L74 L89 N94 L95 Q116	I63-F92 HydrophobicContact CG2-CE2 4.15Å; I67-F92 HydrophobicContact CB-CE1 4.26Å; I67-F92 HydrophobicContact CB-CZ 4.19Å; I67-F92 HydrophobicContact CG2-CE1 3.79Å; I67-F92 HydrophobicContact CG2-CZ 4.07Å; N68-F92 WeakPolarHBondContact O-CE1 3.27Å; L74-F92 HydrophobicContact CD2-CD2 4.28Å; L74-F92 HydrophobicContact CD2-CE2 4.08Å; L74-F92 HydrophobicContact CD2-CZ 4.43Å; L89-F92 HydrophobicContact CD2-CD2 3.9Å; L89-F92 HydrophobicContact CD2-CE2 4.29Å; L89-F92 WeakPolarHBondContact O-CD2 3.38Å; L89-F92 PolarHBondContact O-N 3.35Å; F92-N94 VanDerWaalsContact C-N 3.29Å; F92-N94 PolarHBondContact O-N 2.68Å; F92-L95 HydrophobicContact CB-CB 4.18Å; F92-L95 HydrophobicContact CB-CD2 4.4Å; F92-L95 WeakPolarHBondContact O-CB 3.35Å; F92-L95 PolarHBondContact O-N 2.64Å; F92-Q116 PolarHBondContact O-NE2 3.1Å
93	A	91.9	Very high	95.3	Very high	34 Å²	34	35.1 Å²	35.1	28%	0.281	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.4	-176.9	0	0	0	0	0	113.9	R91 F117 N118	R91-A93 PolarHBondContact O-N 3.42Å; A93-F117 HydrophobicContact CB-CE1 4.18Å; A93-N118 PolarHBondContact O-ND2 3.01Å
94	N	93.1	Very high	95.3	Very high	74 Å²	74	36 Å²	36	40%	0.396	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.2	-179.6	-67	-10	0	0	0	113.8	I71 V72 F92 T96	I71-N94 CarbonylContact O-C 3.5Å; V72-N94 HydrophobicContact CG2-CB 4.25Å; F92-N94 VanDerWaalsContact C-N 3.29Å; F92-N94 PolarHBondContact O-N 2.68Å; N94-T96 PolarHBondContact O-N 3.16Å
95	L	95.7	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.			trans	-66.1	121.3	-171.5	-160.6	71.4	0	0	0	111.4	I71 V72 L74 F92 L98 Q116 N118 L119	I71-L95 HydrophobicContact CG2-CD1 3.93Å; I71-L95 PolarHBondContact O-N 3.48Å; V72-L95 WeakPolarHBondContact O-CD1 3.29Å; L74-L95 HydrophobicContact CB-CD1 3.65Å; F92-L95 HydrophobicContact CB-CB 4.18Å; F92-L95 HydrophobicContact CB-CD2 4.4Å; F92-L95 WeakPolarHBondContact O-CB 3.35Å; F92-L95 PolarHBondContact O-N 2.64Å; L95-L98 HydrophobicContact CD2-CB 3.94Å; L95-L98 HydrophobicContact CD2-CD1 4.29Å; L95-L98 HydrophobicContact CD2-CD2 4.08Å; L95-L98 HydrophobicContact CD2-CG 4.33Å; L95-Q116 HydrophobicContact CB-CG 4.41Å; L95-Q116 HydrophobicContact CD2-CG 4.19Å; L95-N118 CarbonylContact O-C 3.06Å; L95-L119 HydrophobicContact CB-CD1 4.4Å; L95-L119 HydrophobicContact CD2-CD1 4.06Å; L95-L119 HydrophobicContact CG-CD1 3.96Å; L95-L119 VanDerWaalsContact O-CA 3.29Å; L95-L119 WeakPolarHBondContact O-CA 3.42Å; L95-L119 PolarHBondContact O-N 3.37Å; L95-L119 VanDerWaalsContact O-N 3.11Å
96	T	96.9	Very high	95.4	Very high	37 Å²	37	36.8 Å²	36.8	23%	0.227	20%	0.201	C	C	.	.			trans	-105.6	-27.5	173.2	63	0	0	0	0	112.4	V72 N94 N118 Q120 V121	V72-T96 HydrophobicContact CG1-CG2 3.92Å; V72-T96 WeakPolarHBondContact CG1-OG1 3.3Å; V72-T96 PolarHBondContact O-N 3.01Å; V72-T96 PolarHBondContact O-OG1 3.02Å; N94-T96 PolarHBondContact O-N 3.16Å; T96-N118 HydrophobicContact CG2-CB 4.47Å; T96-Q120 PolarHBondContact O-N 2.94Å; T96-V121 PolarHBondContact O-N 3.24Å
97	Y	97.8	Very high	95.5	Very high	52 Å²	52	38.4 Å²	38.4	20%	0.204	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.5	-179	-170.7	-79.8	0	0	0	111.3	V72 D73 L74 R75 N99 V121 Q123	V72-Y97 PolarHBondContact O-N 2.93Å; D73-Y97 WeakPolarHBondContact OD1-CD1 3.32Å; L74-Y97 PolarHBondContact N-O 3.39Å; R75-Y97 HydrophobicContact CG-CE1 4.45Å; Y97-N99 HydrophobicContact CD1-CB 4.49Å; Y97-N99 HydrophobicContact CE1-CB 3.74Å; Y97-V121 HydrophobicContact CD2-CB 3.57Å; Y97-V121 HydrophobicContact CD2-CG1 3.77Å; Y97-V121 HydrophobicContact CD2-CG2 3.92Å; Y97-V121 HydrophobicContact CE2-CB 3.99Å; Y97-V121 HydrophobicContact CE2-CG1 3.63Å; Y97-V121 HydrophobicContact CE2-CG2 4.34Å; Y97-V121 HydrophobicContact CG-CB 4.29Å; Y97-Q123 VanDerWaalsContact OH-CD 3.26Å; Y97-Q123 PolarHBondContact OH-NE2 3.36Å; Y97-Q123 PolarHBondContact OH-OE1 3.38Å
98	L	97.6	Very high	95.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.1	176.9	179.3	53.1	0	0	0	110.9	L74 L89 L95 L100 F113 L119 V121 L122 Q123	L74-L98 HydrophobicContact CB-CD1 4.17Å; L74-L98 HydrophobicContact CD2-CD1 4.14Å; L74-L98 HydrophobicContact CG-CD1 4.16Å; L89-L98 HydrophobicContact CD1-CD2 4.18Å; L89-L98 HydrophobicContact CD2-CD2 4.27Å; L95-L98 HydrophobicContact CD2-CB 3.94Å; L95-L98 HydrophobicContact CD2-CD1 4.29Å; L95-L98 HydrophobicContact CD2-CD2 4.08Å; L95-L98 HydrophobicContact CD2-CG 4.33Å; L98-L100 HydrophobicContact CD1-CD1 4.19Å; L98-L100 HydrophobicContact CD1-CD2 4.45Å; L98-L100 HydrophobicContact CD1-CG 3.99Å; L98-L100 HydrophobicContact CD2-CD1 3.98Å; L98-L100 HydrophobicContact CG-CD1 3.98Å; L98-L100 HydrophobicContact CG-CG 4.14Å; L98-F113 HydrophobicContact CD2-CD1 4.36Å; L98-F113 HydrophobicContact CD2-CE1 3.78Å; L98-L119 HydrophobicContact CB-CD1 3.8Å; L98-L119 HydrophobicContact CB-CD2 4.45Å; L98-V121 PolarHBondContact N-O 2.97Å; L98-L122 HydrophobicContact CB-CD1 4.12Å; L98-L122 HydrophobicContact CD2-CD1 3.97Å; L98-L122 HydrophobicContact CG-CD1 4.04Å; L98-Q123 PolarHBondContact O-N 2.87Å
99	N	97.8	Very high	95.8	Very high	17 Å²	17	37.2 Å²	37.2	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.4	176.3	-177.2	2.4	0	0	0	111.9	L74 L76 N77 Y97 T101 Q123	L74-N99 PolarHBondContact O-N 3Å; L76-N99 CarbonylContact C-O 3.17Å; L76-N99 WeakPolarHBondContact CA-O 3.41Å; L76-N99 PolarHBondContact N-O 3.34Å; N77-N99 PolarHBondContact N-O 3.01Å; Y97-N99 HydrophobicContact CD1-CB 4.49Å; Y97-N99 HydrophobicContact CE1-CB 3.74Å; N99-T101 WeakPolarHBondContact OD1-CB 3.45Å; N99-T101 PolarHBondContact OD1-N 3.48Å; N99-T101 PolarHBondContact OD1-OG1 2.92Å; N99-Q123 HydrophobicContact CB-CB 4.29Å; N99-Q123 PolarHBondContact ND2-OE1 3.39Å; N99-Q123 VanDerWaalsContact ND2-OE1 3.11Å; N99-Q123 PolarHBondContact OD1-OE1 2.91Å
100	L	97.3	Very high	95.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.			trans	-117.4	16.8	177.6	-67.9	164.2	0	0	0	111.8	L76 I81 I84 L98 N103 I105 Q123 M124 N127	L76-L100 HydrophobicContact CB-CD2 3.78Å; L76-L100 HydrophobicContact CD1-CD2 4.13Å; I81-L100 HydrophobicContact CD1-CD2 3.79Å; I84-L100 HydrophobicContact CD1-CD1 3.58Å; I84-L100 HydrophobicContact CG1-CD1 4.45Å; L98-L100 HydrophobicContact CD1-CD1 4.19Å; L98-L100 HydrophobicContact CD1-CD2 4.45Å; L98-L100 HydrophobicContact CD1-CG 3.99Å; L98-L100 HydrophobicContact CD2-CD1 3.98Å; L98-L100 HydrophobicContact CG-CD1 3.98Å; L98-L100 HydrophobicContact CG-CG 4.14Å; L100-N103 PolarHBondContact O-ND2 2.91Å; L100-I105 HydrophobicContact CB-CD1 3.88Å; L100-I105 HydrophobicContact CD1-CD1 4.24Å; L100-I105 HydrophobicContact CD2-CD1 4.41Å; L100-I105 HydrophobicContact CG-CD1 4.42Å; L100-Q123 WeakPolarHBondContact CA-O 3.36Å; L100-Q123 PolarHBondContact N-O 3.18Å; L100-M124 HydrophobicContact CB-CG 4.32Å; L100-M124 HydrophobicContact CD1-CG 4.41Å; L100-M124 HydrophobicContact CD1-SD 4.41Å; L100-N127 PolarHBondContact O-ND2 3.14Å
101	T	97.5	Very high	96	Very high	23 Å²	23	40.4 Å²	40.4	14%	0.141	21%	0.206	C	C	.	.			trans	-57.6	142	-176.8	-56.9	0	0	0	0	112.4	N77 E78 N99 Q123 G125 F126	N77-T101 CarbonylContact C-O 3.53Å; N77-T101 WeakPolarHBondContact CA-O 3.39Å; N77-T101 VanDerWaalsContact CB-O 3.27Å; N77-T101 WeakPolarHBondContact CB-O 3.48Å; E78-T101 PolarHBondContact N-O 3.14Å; N99-T101 WeakPolarHBondContact OD1-CB 3.45Å; N99-T101 PolarHBondContact OD1-N 3.48Å; N99-T101 PolarHBondContact OD1-OG1 2.92Å; T101-Q123 PolarHBondContact N-O 2.92Å; T101-G125 CarbonylContact C-O 3.51Å; T101-G125 VanDerWaalsContact CA-O 3.28Å; T101-G125 WeakPolarHBondContact CA-O 3.45Å; T101-F126 HydrophobicContact CG2-CD2 4.06Å
102	K	96.8	Very high	96.2	Very high	97 Å²	97	37 Å²	37	42%	0.422	19%	0.193	S	C	.	.	S	Bend	trans	55	56.8	-177.8	-62.4	165.5	-173.8	179.3	0	112.5	E78 G125 F126	E78-K102 VanDerWaalsContact CA-O 3.26Å; E78-K102 WeakPolarHBondContact CA-O 3.42Å; E78-K102 HydrophobicContact CG-CB 3.8Å; E78-K102 HydrophobicContact CG-CD 3.52Å; E78-K102 HydrophobicContact CG-CG 4.35Å; E78-K102 PolarHBondContact N-O 2.99Å; E78-K102 WeakPolarHBondContact OE1-CD 3.35Å; E78-K102 WeakPolarHBondContact OE1-CE 3.31Å; E78-K102 IonicContact OE1-NZ 3.73Å; E78-K102 PolarHBondContact OE1-NZ 3.41Å; K102-G125 PolarHBondContact N-O 2.89Å; K102-F126 VanDerWaalsContact CA-O 3.32Å; K102-F126 WeakPolarHBondContact CA-O 3.4Å; K102-F126 HydrophobicContact CB-CB 4.34Å; K102-F126 HydrophobicContact CG-CB 3.65Å; K102-F126 HydrophobicContact CG-CD2 4.39Å; K102-F126 HydrophobicContact CG-CG 4.08Å
103	N	97.1	Very high	96.3	Very high	10 Å²	10	37 Å²	37	5%	0.053	19%	0.193	C	C	.	.	S	Bend	trans	-113.8	-165.4	167.9	-87.6	-86.1	0	0	0	109.6	L76 N79 K80 I81 L100 I105 N127	L76-N103 PolarHBondContact O-ND2 3.35Å; N79-N103 WeakPolarHBondContact CA-OD1 3.44Å; N79-N103 WeakPolarHBondContact CB-OD1 3.45Å; N79-N103 PolarHBondContact O-OD1 3.22Å; K80-N103 PolarHBondContact N-OD1 3.43Å; I81-N103 HydrophobicContact CB-CB 4.27Å; I81-N103 WeakPolarHBondContact CB-OD1 3.37Å; I81-N103 WeakPolarHBondContact CG1-OD1 3.25Å; I81-N103 PolarHBondContact N-OD1 2.93Å; L100-N103 PolarHBondContact O-ND2 2.91Å; N103-I105 HydrophobicContact CB-CD1 4.06Å; N103-I105 HydrophobicContact CB-CG1 3.86Å; N103-N127 VanDerWaalsContact CA-OD1 3.25Å; N103-N127 WeakPolarHBondContact CA-OD1 3.43Å; N103-N127 WeakPolarHBondContact CB-OD1 3.28Å; N103-N127 PolarHBondContact N-OD1 3.25Å; N103-N127 PolarHBondContact O-OD1 3.06Å
104	E	97.3	Very high	96.5	Very high	53 Å²	53	38 Å²	38	25%	0.248	20%	0.197	C	C	.	.			trans	-110.5	25.4	177	-58.7	-161	-135.1	0	0	111.8	K80 I81 K82 S106 N127 K128	K80-E104 IonicContact NZ-OE1 2.81Å; K80-E104 PolarHBondContact NZ-OE1 3.3Å; I81-E104 CarbonylContact O-C 3.06Å; I81-E104 WeakPolarHBondContact O-CA 3.35Å; I81-E104 PolarHBondContact O-N 3.09Å; K82-E104 HydrophobicContact CG-CB 4.33Å; E104-S106 PolarHBondContact O-N 2.89Å; E104-N127 PolarHBondContact N-OD1 2.94Å; E104-K128 HydrophobicContact CB-CD 4.33Å; E104-K128 IonicContact OE2-NZ 3.24Å; E104-K128 PolarHBondContact OE2-NZ 3.38Å
105	I	97.8	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.			trans	-69	115.5	-166.6	-56	169.3	0	0	0	110.3	I81 K82 I84 L100 N103 I108 N127 K128 L129	I81-I105 HydrophobicContact CB-CG1 4.22Å; I81-I105 HydrophobicContact CG2-CD1 4.33Å; I81-I105 HydrophobicContact CG2-CG1 4.08Å; I81-I105 WeakPolarHBondContact O-CA 3.47Å; I81-I105 WeakPolarHBondContact O-CG1 3.48Å; I81-I105 PolarHBondContact O-N 3.44Å; K82-I105 WeakPolarHBondContact O-CA 3.47Å; I84-I105 HydrophobicContact CD1-CD1 4.19Å; I84-I105 HydrophobicContact CD1-CG2 4.46Å; I84-I105 HydrophobicContact CG1-CD1 4.25Å; I84-I105 HydrophobicContact CG1-CG2 4.15Å; L100-I105 HydrophobicContact CB-CD1 3.88Å; L100-I105 HydrophobicContact CD1-CD1 4.24Å; L100-I105 HydrophobicContact CD2-CD1 4.41Å; L100-I105 HydrophobicContact CG-CD1 4.42Å; N103-I105 HydrophobicContact CB-CD1 4.06Å; N103-I105 HydrophobicContact CB-CG1 3.86Å; I105-I108 HydrophobicContact CG2-CG1 4.14Å; I105-N127 HydrophobicContact CB-CB 4.24Å; I105-N127 VanDerWaalsContact CB-OD1 3.32Å; I105-N127 WeakPolarHBondContact CB-OD1 3.16Å; I105-N127 VanDerWaalsContact CG1-OD1 3.28Å; I105-N127 WeakPolarHBondContact CG1-OD1 3.44Å; I105-N127 PolarHBondContact N-OD1 3.46Å; I105-K128 CarbonylContact O-C 3.55Å; I105-K128 VanDerWaalsContact O-CA 3.26Å; I105-K128 WeakPolarHBondContact O-CA 3.18Å; I105-K128 WeakPolarHBondContact O-CB 3.41Å; I105-K128 PolarHBondContact O-N 3.38Å; I105-L129 HydrophobicContact CG2-CD2 3.92Å; I105-L129 PolarHBondContact O-N 3.4Å; I105-L129 VanDerWaalsContact O-N 3.14Å
106	S	96.8	Very high	96.5	Very high	75 Å²	75	35.3 Å²	35.3	52%	0.524	19%	0.186	S	C	.	.			trans	-117.5	-8.5	177.7	62.4	0	0	0	0	114	K82 E104	K82-S106 PolarHBondContact O-N 3.24Å; E104-S106 PolarHBondContact O-N 2.89Å
107	Y	96.3	Very high	96.4	Very high	122 Å²	122	38.7 Å²	38.7	48%	0.478	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.1	179.5	177.6	-103.9	0	0	0	111.2	S83 I84 H85 E109	S83-Y107 VanDerWaalsContact CA-O 3.22Å; S83-Y107 WeakPolarHBondContact CA-O 3.37Å; I84-Y107 PolarHBondContact N-O 2.9Å; I84-Y107 VanDerWaalsContact N-O 3.11Å; H85-Y107 AromaticContact CE1-CE1 3.94Å; Y107-E109 HydrophobicContact CE1-CB 4.19Å
108	I	97.1	Very high	96.3	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.1	170.7	-60.8	176.3	0	0	0	106.1	I84 I105 A112 F113 M124 L129 I136	I84-I108 HydrophobicContact CB-CG1 4.18Å; I84-I108 HydrophobicContact CB-CG2 4.26Å; I84-I108 HydrophobicContact CD1-CD1 3.87Å; I84-I108 HydrophobicContact CD1-CG1 3.89Å; I84-I108 HydrophobicContact CG1-CG1 4.08Å; I105-I108 HydrophobicContact CG2-CG1 4.14Å; I108-A112 HydrophobicContact CG2-CB 3.7Å; I108-F113 HydrophobicContact CD1-CE2 4.3Å; I108-F113 HydrophobicContact CG2-CE2 4.12Å; I108-M124 HydrophobicContact CD1-CE 3.92Å; I108-M124 HydrophobicContact CD1-SD 3.84Å; I108-L129 HydrophobicContact CD1-CD1 4.1Å; I108-L129 HydrophobicContact CD1-CD2 3.84Å; I108-L129 HydrophobicContact CG1-CD2 3.95Å; I108-I136 HydrophobicContact CB-CD1 4.49Å; I108-I136 HydrophobicContact CB-CG1 4.11Å; I108-I136 HydrophobicContact CB-CG2 4.29Å; I108-I136 HydrophobicContact CD1-CG2 4.02Å; I108-I136 HydrophobicContact CG2-CG1 4.28Å; I108-I136 HydrophobicContact CG2-CG2 4.09Å
109	E	96.1	Very high	96.3	Very high	65 Å²	65	37.7 Å²	37.7	30%	0.304	20%	0.196	S	C	.	.			trans	-67.9	137.2	175.1	-175.9	174.5	-165.7	0	0	110.5	I84 H85 F86 Y107 G111 A112	I84-E109 PolarHBondContact O-N 2.88Å; H85-E109 WeakPolarHBondContact CA-OE2 3.48Å; H85-E109 WeakPolarHBondContact CB-OE2 3.45Å; H85-E109 IonicContact CG-OE2 2.84Å; H85-E109 IonicContact ND1-OE2 3.41Å; H85-E109 PolarHBondContact ND1-OE2 3.02Å; H85-E109 VanDerWaalsContact ND1-OE2 3.09Å; F86-E109 PolarHBondContact N-OE2 3.4Å; Y107-E109 HydrophobicContact CE1-CB 4.19Å; E109-G111 PolarHBondContact O-N 3.5Å; E109-A112 HydrophobicContact CB-CB 4.24Å; E109-A112 WeakPolarHBondContact O-CB 3.45Å; E109-A112 PolarHBondContact O-N 2.94Å
110	D	95.2	Very high	96.3	Very high	104 Å²	104	40.6 Å²	40.6	56%	0.556	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	125.6	176.4	-70.3	-45.2	0	0	0	109.6	T133 G135 I136	D110-T133 PolarHBondContact OD1-OG1 3.36Å; D110-G135 CarbonylContact C-O 3.48Å; D110-G135 VanDerWaalsContact OD1-C 3.29Å; D110-G135 VanDerWaalsContact OD1-CA 3.23Å; D110-G135 WeakPolarHBondContact OD1-CA 3.25Å; D110-I136 PolarHBondContact OD1-N 3.47Å
111	G	94.7	Very high	96.4	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	10	-171.5	0	0	0	0	0	115.1	F86 E109 F113 S114 G135	F86-G111 WeakPolarHBondContact CD2-O 3.43Å; E109-G111 PolarHBondContact O-N 3.5Å; G111-F113 PolarHBondContact O-N 2.92Å; G111-F113 VanDerWaalsContact O-N 3.14Å; G111-S114 VanDerWaalsContact O-CB 3.24Å; G111-S114 WeakPolarHBondContact O-CB 3.21Å; G111-S114 PolarHBondContact O-N 3.09Å; G111-S114 PolarHBondContact O-OG 3.26Å; G111-G135 PolarHBondContact N-O 2.91Å
112	A	96.1	Very high	96.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.4	179.1	0	0	0	0	0	114	I84 I108 E109	I84-A112 HydrophobicContact CG2-CB 4.07Å; I108-A112 HydrophobicContact CG2-CB 3.7Å; E109-A112 HydrophobicContact CB-CB 4.24Å; E109-A112 WeakPolarHBondContact O-CB 3.45Å; E109-A112 PolarHBondContact O-N 2.94Å
113	F	96.1	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	8.4	177.6	-55.7	-68.5	0	0	0	114.3	I84 L89 L98 I108 G111 A115 Q116 L122 M124 I136 R138 L140	I84-F113 HydrophobicContact CD1-CE1 4.19Å; I84-F113 HydrophobicContact CD1-CZ 3.62Å; I84-F113 HydrophobicContact CG2-CE1 4.39Å; I84-F113 HydrophobicContact CG2-CZ 4.49Å; L89-F113 HydrophobicContact CD1-CD1 3.42Å; L89-F113 VanDerWaalsContact CD1-CD1 3.42Å; L89-F113 HydrophobicContact CD1-CE1 3.4Å; L89-F113 VanDerWaalsContact CD1-CE1 3.4Å; L98-F113 HydrophobicContact CD2-CD1 4.36Å; L98-F113 HydrophobicContact CD2-CE1 3.78Å; I108-F113 HydrophobicContact CD1-CE2 4.3Å; I108-F113 HydrophobicContact CG2-CE2 4.12Å; G111-F113 PolarHBondContact O-N 2.92Å; G111-F113 VanDerWaalsContact O-N 3.14Å; F113-A115 PolarHBondContact O-N 3.02Å; F113-A115 VanDerWaalsContact O-N 3.08Å; F113-Q116 HydrophobicContact CB-CB 4.41Å; F113-Q116 WeakPolarHBondContact O-CA 3.36Å; F113-Q116 WeakPolarHBondContact O-CB 3.36Å; F113-Q116 PolarHBondContact O-N 2.72Å; F113-L122 HydrophobicContact CD2-CD2 4.41Å; F113-L122 HydrophobicContact CE1-CD1 4.23Å; F113-L122 HydrophobicContact CE1-CD2 4.41Å; F113-L122 HydrophobicContact CE2-CD2 4Å; F113-L122 HydrophobicContact CZ-CD1 4.21Å; F113-L122 HydrophobicContact CZ-CD2 4Å; F113-M124 HydrophobicContact CE2-CE 4.34Å; F113-M124 HydrophobicContact CE2-SD 4.33Å; F113-M124 HydrophobicContact CZ-CE 4.36Å; F113-M124 HydrophobicContact CZ-SD 3.79Å; F113-I136 VanDerWaalsContact CD2-O 3.27Å; F113-I136 WeakPolarHBondContact CD2-O 3.36Å; F113-R138 CarbonylContact C-O 3.17Å; F113-L140 HydrophobicContact CB-CD1 3.99Å; F113-L140 HydrophobicContact CB-CD2 3.71Å; F113-L140 HydrophobicContact CB-CG 3.83Å; F113-L140 HydrophobicContact CD2-CD1 3.99Å; F113-L140 HydrophobicContact CG-CD1 4.14Å; F113-L140 HydrophobicContact CG-CD2 4.39Å; F113-L140 HydrophobicContact CG-CG 4.5Å
114	S	94.9	Very high	96.5	Very high	53 Å²	53	37.5 Å²	37.5	37%	0.371	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18	-173.5	59.8	0	0	0	0	114.7	F86 G111 R138	F86-S114 WeakPolarHBondContact CD2-OG 3.35Å; F86-S114 VanDerWaalsContact CE2-OG 3.31Å; F86-S114 WeakPolarHBondContact CE2-OG 3.49Å; G111-S114 VanDerWaalsContact O-CB 3.24Å; G111-S114 WeakPolarHBondContact O-CB 3.21Å; G111-S114 PolarHBondContact O-N 3.09Å; G111-S114 PolarHBondContact O-OG 3.26Å; S114-R138 WeakPolarHBondContact CA-O 3.48Å; S114-R138 PolarHBondContact N-O 2.86Å
115	A	94.4	Very high	96.5	Very high	19 Å²	19	35 Å²	35	16%	0.157	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-11.4	171.6	0	0	0	0	0	113.7	F86 F113 F117	F86-A115 HydrophobicContact CE2-CB 4.06Å; F113-A115 PolarHBondContact O-N 3.02Å; F113-A115 VanDerWaalsContact O-N 3.08Å; A115-F117 VanDerWaalsContact C-N 3.27Å; A115-F117 VanDerWaalsContact O-CD1 3.3Å; A115-F117 WeakPolarHBondContact O-CD1 3.28Å; A115-F117 PolarHBondContact O-N 3.36Å
116	Q	95.8	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.			trans	-92.7	43.2	-175.2	-77	55	65.4	0	0	111.2	L89 F92 L95 F113 N118 L119 L140	L89-Q116 PolarHBondContact O-NE2 3.07Å; F92-Q116 PolarHBondContact O-NE2 3.1Å; L95-Q116 HydrophobicContact CB-CG 4.41Å; L95-Q116 HydrophobicContact CD2-CG 4.19Å; F113-Q116 HydrophobicContact CB-CB 4.41Å; F113-Q116 WeakPolarHBondContact O-CA 3.36Å; F113-Q116 WeakPolarHBondContact O-CB 3.36Å; F113-Q116 PolarHBondContact O-N 2.72Å; Q116-N118 PolarHBondContact O-N 3.4Å; Q116-L119 HydrophobicContact CB-CB 4.18Å; Q116-L119 VanDerWaalsContact O-CB 3.28Å; Q116-L119 WeakPolarHBondContact O-CB 3.43Å; Q116-L119 PolarHBondContact O-N 2.92Å; Q116-L140 HydrophobicContact CB-CD2 4.25Å
117	F	94	Very high	96.6	Very high	107 Å²	107	36.7 Å²	36.7	47%	0.469	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-3	-178.3	66.2	-91.1	0	0	0	114.7	A93 A115 K142	A93-F117 HydrophobicContact CB-CE1 4.18Å; A115-F117 VanDerWaalsContact C-N 3.27Å; A115-F117 VanDerWaalsContact O-CD1 3.3Å; A115-F117 WeakPolarHBondContact O-CD1 3.28Å; A115-F117 PolarHBondContact O-N 3.36Å; F117-K142 WeakPolarHBondContact O-CD 3.42Å; F117-K142 WeakPolarHBondContact O-CE 3.09Å; F117-K142 WeakPolarHBondContact O-CG 3.47Å
118	N	96.1	Very high	96.6	Very high	32 Å²	32	34.9 Å²	34.9	17%	0.171	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-4.3	172.8	-69.5	-52.1	0	0	0	113.9	A93 L95 T96 Q116 Q120 K142	A93-N118 PolarHBondContact O-ND2 3.01Å; L95-N118 CarbonylContact O-C 3.06Å; T96-N118 HydrophobicContact CG2-CB 4.47Å; Q116-N118 PolarHBondContact O-N 3.4Å; N118-Q120 PolarHBondContact O-N 3.42Å; N118-K142 PolarHBondContact OD1-NZ 3.49Å
119	L	97.8	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.			trans	-67.9	128.2	-173.4	-160.8	75.3	0	0	0	111.3	L95 L98 Q116 L122 L140 K142 L143	L95-L119 HydrophobicContact CB-CD1 4.4Å; L95-L119 HydrophobicContact CD2-CD1 4.06Å; L95-L119 HydrophobicContact CG-CD1 3.96Å; L95-L119 VanDerWaalsContact O-CA 3.29Å; L95-L119 WeakPolarHBondContact O-CA 3.42Å; L95-L119 PolarHBondContact O-N 3.37Å; L95-L119 VanDerWaalsContact O-N 3.11Å; L98-L119 HydrophobicContact CB-CD1 3.8Å; L98-L119 HydrophobicContact CB-CD2 4.45Å; Q116-L119 HydrophobicContact CB-CB 4.18Å; Q116-L119 VanDerWaalsContact O-CB 3.28Å; Q116-L119 WeakPolarHBondContact O-CB 3.43Å; Q116-L119 PolarHBondContact O-N 2.92Å; L119-L122 HydrophobicContact CD2-CB 3.91Å; L119-L122 HydrophobicContact CD2-CD1 4.2Å; L119-L122 HydrophobicContact CD2-CD2 4.27Å; L119-L122 HydrophobicContact CD2-CG 4.35Å; L119-L140 HydrophobicContact CB-CD2 3.84Å; L119-L140 HydrophobicContact CD2-CD2 3.68Å; L119-L140 HydrophobicContact CG-CD2 4.4Å; L119-K142 CarbonylContact O-C 3.56Å; L119-L143 HydrophobicContact CD2-CD1 4.25Å; L119-L143 HydrophobicContact CG-CD1 4.34Å; L119-L143 VanDerWaalsContact O-CA 3.24Å; L119-L143 WeakPolarHBondContact O-CA 3.48Å; L119-L143 PolarHBondContact O-N 3.49Å; L119-L143 VanDerWaalsContact O-N 3.09Å
120	Q	97.9	Very high	96.7	Very high	78 Å²	78	39.1 Å²	39.1	36%	0.364	19%	0.19	S	C	.	.			trans	-110.7	-35	179.5	-66.4	175.3	-63	0	0	111.3	T96 N118 Q144 Y145	T96-Q120 PolarHBondContact O-N 2.94Å; N118-Q120 PolarHBondContact O-N 3.42Å; Q120-Q144 VanDerWaalsContact NE2-OE1 3.11Å; Q120-Q144 PolarHBondContact O-N 3.29Å; Q120-Y145 PolarHBondContact O-N 2.79Å
121	V	98.4	Very high	96.7	Very high	25 Å²	25	38.1 Å²	38.1	15%	0.152	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.5	-179.4	-174.8	0	0	0	0	110.6	T96 Y97 L98 Q123 Y145 Y147	T96-V121 PolarHBondContact O-N 3.24Å; Y97-V121 HydrophobicContact CD2-CB 3.57Å; Y97-V121 HydrophobicContact CD2-CG1 3.77Å; Y97-V121 HydrophobicContact CD2-CG2 3.92Å; Y97-V121 HydrophobicContact CE2-CB 3.99Å; Y97-V121 HydrophobicContact CE2-CG1 3.63Å; Y97-V121 HydrophobicContact CE2-CG2 4.34Å; Y97-V121 HydrophobicContact CG-CB 4.29Å; L98-V121 PolarHBondContact N-O 2.97Å; V121-Q123 HydrophobicContact CG1-CG 4.22Å; V121-Y145 HydrophobicContact CG2-CD2 4.12Å; V121-Y145 HydrophobicContact CG2-CG 4.46Å; V121-Y147 HydrophobicContact CG1-CE2 4.28Å
122	L	98.3	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	109.5	174.3	-178.3	52.8	0	0	0	110.1	L98 F113 L119 M124 L137 L140 L143 Y145 L146 Y147	L98-L122 HydrophobicContact CB-CD1 4.12Å; L98-L122 HydrophobicContact CD2-CD1 3.97Å; L98-L122 HydrophobicContact CG-CD1 4.04Å; F113-L122 HydrophobicContact CD2-CD2 4.41Å; F113-L122 HydrophobicContact CE1-CD1 4.23Å; F113-L122 HydrophobicContact CE1-CD2 4.41Å; F113-L122 HydrophobicContact CE2-CD2 4Å; F113-L122 HydrophobicContact CZ-CD1 4.21Å; F113-L122 HydrophobicContact CZ-CD2 4Å; L119-L122 HydrophobicContact CD2-CB 3.91Å; L119-L122 HydrophobicContact CD2-CD1 4.2Å; L119-L122 HydrophobicContact CD2-CD2 4.27Å; L119-L122 HydrophobicContact CD2-CG 4.35Å; L122-M124 HydrophobicContact CD1-CE 4.46Å; L122-M124 HydrophobicContact CD1-CG 3.75Å; L122-M124 HydrophobicContact CD1-SD 3.97Å; L122-M124 HydrophobicContact CD2-CE 3.79Å; L122-M124 HydrophobicContact CD2-SD 4.28Å; L122-M124 HydrophobicContact CG-CE 4.07Å; L122-M124 HydrophobicContact CG-CG 4.02Å; L122-M124 HydrophobicContact CG-SD 4.22Å; L122-L137 HydrophobicContact CD2-CD2 4.38Å; L122-L140 HydrophobicContact CD2-CD1 3.94Å; L122-L143 HydrophobicContact CB-CD1 3.71Å; L122-Y145 PolarHBondContact N-O 3.37Å; L122-L146 HydrophobicContact CB-CD1 4.19Å; L122-L146 HydrophobicContact CD2-CD1 4.12Å; L122-L146 HydrophobicContact CG-CD1 4.17Å; L122-Y147 PolarHBondContact O-N 3.42Å
123	Q	98.3	Very high	96.7	Very high	39 Å²	39	39.3 Å²	39.3	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.7	176.4	-71.9	172.8	-6.7	0	0	110.3	Y97 L98 N99 L100 T101 V121 Y147	Y97-Q123 VanDerWaalsContact OH-CD 3.26Å; Y97-Q123 PolarHBondContact OH-NE2 3.36Å; Y97-Q123 PolarHBondContact OH-OE1 3.38Å; L98-Q123 PolarHBondContact O-N 2.87Å; N99-Q123 HydrophobicContact CB-CB 4.29Å; N99-Q123 PolarHBondContact ND2-OE1 3.39Å; N99-Q123 VanDerWaalsContact ND2-OE1 3.11Å; N99-Q123 PolarHBondContact OD1-OE1 2.91Å; L100-Q123 WeakPolarHBondContact CA-O 3.36Å; L100-Q123 PolarHBondContact N-O 3.18Å; T101-Q123 PolarHBondContact N-O 2.92Å; V121-Q123 HydrophobicContact CG1-CG 4.22Å; Q123-Y147 HydrophobicContact CG-CD2 3.53Å; Q123-Y147 HydrophobicContact CG-CE2 4.23Å; Q123-Y147 HydrophobicContact CG-CG 4.19Å
124	M	97.4	Very high	96.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.205	C	C	.	.			trans	-128.1	21.1	177.8	-60.9	-166.3	-63.5	0	0	112.5	I84 L100 I108 F113 L122 N127 L129 Y147 L148 N151	I84-M124 HydrophobicContact CD1-SD 3.97Å; L100-M124 HydrophobicContact CB-CG 4.32Å; L100-M124 HydrophobicContact CD1-CG 4.41Å; L100-M124 HydrophobicContact CD1-SD 4.41Å; I108-M124 HydrophobicContact CD1-CE 3.92Å; I108-M124 HydrophobicContact CD1-SD 3.84Å; F113-M124 HydrophobicContact CE2-CE 4.34Å; F113-M124 HydrophobicContact CE2-SD 4.33Å; F113-M124 HydrophobicContact CZ-CE 4.36Å; F113-M124 HydrophobicContact CZ-SD 3.79Å; L122-M124 HydrophobicContact CD1-CE 4.46Å; L122-M124 HydrophobicContact CD1-CG 3.75Å; L122-M124 HydrophobicContact CD1-SD 3.97Å; L122-M124 HydrophobicContact CD2-CE 3.79Å; L122-M124 HydrophobicContact CD2-SD 4.28Å; L122-M124 HydrophobicContact CG-CE 4.07Å; L122-M124 HydrophobicContact CG-CG 4.02Å; L122-M124 HydrophobicContact CG-SD 4.22Å; M124-N127 WeakPolarHBondContact O-CB 3.37Å; M124-N127 PolarHBondContact O-ND2 3.21Å; M124-L129 HydrophobicContact CE-CD1 4.28Å; M124-Y147 CarbonylContact C-O 3.59Å; M124-Y147 PolarHBondContact N-O 3.5Å; M124-L148 HydrophobicContact CB-CD2 4.2Å; M124-L148 HydrophobicContact CE-CD2 3.8Å; M124-N151 PolarHBondContact O-ND2 2.93Å
125	G	97	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.			trans	-60.1	159.1	177.5	0	0	0	0	0	114.5	T101 K102 N127 Y147 Q149	T101-G125 CarbonylContact C-O 3.51Å; T101-G125 VanDerWaalsContact CA-O 3.28Å; T101-G125 WeakPolarHBondContact CA-O 3.45Å; K102-G125 PolarHBondContact N-O 2.89Å; G125-N127 VanDerWaalsContact C-N 3.33Å; G125-N127 PolarHBondContact O-N 3.32Å; G125-N127 PolarHBondContact O-ND2 2.96Å; G125-N127 VanDerWaalsContact O-ND2 3.11Å; G125-Y147 PolarHBondContact N-O 3.26Å; G125-Q149 CarbonylContact C-O 3.44Å; G125-Q149 WeakPolarHBondContact CA-O 3.3Å
126	F	97.9	Very high	96.3	Very high	101 Å²	101	40.5 Å²	40.5	44%	0.443	19%	0.191	S	C	.	.	S	Bend	trans	54.5	45.5	179.5	-58.9	-91.5	0	0	0	112.9	T101 K102 Q149 A150	T101-F126 HydrophobicContact CG2-CD2 4.06Å; K102-F126 VanDerWaalsContact CA-O 3.32Å; K102-F126 WeakPolarHBondContact CA-O 3.4Å; K102-F126 HydrophobicContact CB-CB 4.34Å; K102-F126 HydrophobicContact CG-CB 3.65Å; K102-F126 HydrophobicContact CG-CD2 4.39Å; K102-F126 HydrophobicContact CG-CG 4.08Å; F126-Q149 HydrophobicContact CE2-CG 4.29Å; F126-Q149 PolarHBondContact N-O 3.14Å; F126-A150 WeakPolarHBondContact CA-O 3.2Å; F126-A150 HydrophobicContact CD1-CB 3.6Å; F126-A150 HydrophobicContact CD2-CB 4.44Å; F126-A150 HydrophobicContact CE1-CB 3.65Å; F126-A150 HydrophobicContact CE2-CB 4.47Å; F126-A150 HydrophobicContact CG-CB 4.01Å; F126-A150 HydrophobicContact CZ-CB 4.1Å
127	N	98.4	Very high	96.3	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.048	19%	0.191	C	C	.	.	S	Bend	trans	-117.5	-163.1	176.6	-86.4	-76.2	0	0	0	110.7	L100 N103 E104 I105 M124 G125 N151	L100-N127 PolarHBondContact O-ND2 3.14Å; N103-N127 VanDerWaalsContact CA-OD1 3.25Å; N103-N127 WeakPolarHBondContact CA-OD1 3.43Å; N103-N127 WeakPolarHBondContact CB-OD1 3.28Å; N103-N127 PolarHBondContact N-OD1 3.25Å; N103-N127 PolarHBondContact O-OD1 3.06Å; E104-N127 PolarHBondContact N-OD1 2.94Å; I105-N127 HydrophobicContact CB-CB 4.24Å; I105-N127 VanDerWaalsContact CB-OD1 3.32Å; I105-N127 WeakPolarHBondContact CB-OD1 3.16Å; I105-N127 VanDerWaalsContact CG1-OD1 3.28Å; I105-N127 WeakPolarHBondContact CG1-OD1 3.44Å; I105-N127 PolarHBondContact N-OD1 3.46Å; M124-N127 WeakPolarHBondContact O-CB 3.37Å; M124-N127 PolarHBondContact O-ND2 3.21Å; G125-N127 VanDerWaalsContact C-N 3.33Å; G125-N127 PolarHBondContact O-N 3.32Å; G125-N127 PolarHBondContact O-ND2 2.96Å; G125-N127 VanDerWaalsContact O-ND2 3.11Å; N127-N151 VanDerWaalsContact CA-OD1 3.32Å; N127-N151 WeakPolarHBondContact CA-OD1 3.34Å; N127-N151 WeakPolarHBondContact CB-OD1 3.29Å; N127-N151 PolarHBondContact O-OD1 3.35Å
128	K	97.8	Very high	96.3	Very high	84 Å²	84	41.9 Å²	41.9	37%	0.365	19%	0.193	S	C	.	.			trans	-121.9	21.4	-173.6	-58	179.8	-174.4	174.8	0	112.6	E104 I105 N151 L152	E104-K128 HydrophobicContact CB-CD 4.33Å; E104-K128 IonicContact OE2-NZ 3.24Å; E104-K128 PolarHBondContact OE2-NZ 3.38Å; I105-K128 CarbonylContact O-C 3.55Å; I105-K128 VanDerWaalsContact O-CA 3.26Å; I105-K128 WeakPolarHBondContact O-CA 3.18Å; I105-K128 WeakPolarHBondContact O-CB 3.41Å; I105-K128 PolarHBondContact O-N 3.38Å; K128-N151 PolarHBondContact N-OD1 3.39Å; K128-L152 HydrophobicContact CB-CD1 4.47Å
129	L	97.6	Very high	96	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	20%	0.196	C	C	.	.			trans	-64.8	139.1	178.8	-62	174.2	0	0	0	110.4	I105 I108 M124 L148 N151 L152 I153	I105-L129 HydrophobicContact CG2-CD2 3.92Å; I105-L129 PolarHBondContact O-N 3.4Å; I105-L129 VanDerWaalsContact O-N 3.14Å; I108-L129 HydrophobicContact CD1-CD1 4.1Å; I108-L129 HydrophobicContact CD1-CD2 3.84Å; I108-L129 HydrophobicContact CG1-CD2 3.95Å; M124-L129 HydrophobicContact CE-CD1 4.28Å; L129-L148 HydrophobicContact CD1-CD2 4.01Å; L129-N151 HydrophobicContact CB-CB 4.37Å; L129-N151 WeakPolarHBondContact CB-OD1 3.37Å; L129-N151 WeakPolarHBondContact CG-OD1 3.34Å; L129-N151 PolarHBondContact N-OD1 3.12Å; L129-N151 VanDerWaalsContact N-OD1 3.08Å; L129-L152 CarbonylContact O-C 3.55Å; L129-L152 VanDerWaalsContact O-CA 3.25Å; L129-L152 WeakPolarHBondContact O-CA 3.47Å; L129-L152 WeakPolarHBondContact O-CB 3.47Å; L129-L152 PolarHBondContact O-N 3.38Å; L129-I153 HydrophobicContact CB-CG1 4.34Å; L129-I153 PolarHBondContact O-N 2.63Å
130	R	96.5	Very high	95.9	Very high	151 Å²	151	41.4 Å²	41.4	57%	0.57	20%	0.196	S	C	*	.			trans	-114.9	-29.9	-177.4	-66.3	-168.2	-174.1	-168.1	2.2	115.6	L152 I153 E154	R130-L152 WeakPolarHBondContact CA-O 3.44Å; R130-L152 HydrophobicContact CG-CB 4.21Å; R130-I153 CarbonylContact O-C 3.52Å; R130-I153 VanDerWaalsContact O-CA 3.28Å; R130-I153 WeakPolarHBondContact O-CA 3.37Å; R130-E154 PolarHBondContact O-N 2.88Å
131	N	95.3	Very high	95.7	Very high	83 Å²	83	39 Å²	39	44%	0.444	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.1	-179.1	-63.4	-22.1	0	0	0	108.6	T155	N131-T155 WeakPolarHBondContact CA-O 3.48Å; N131-T155 VanDerWaalsContact CG-OG1 3.23Å; N131-T155 PolarHBondContact OD1-OG1 3.33Å
132	L	96	Very high	95.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.8	170.9	-168.7	66.2	0	0	0	110.1	I136 L137 L148 T155 V156 I157 A160 F161	L132-I136 HydrophobicContact CD1-CB 4.49Å; L132-I136 HydrophobicContact CD1-CG2 3.97Å; L132-L137 HydrophobicContact CD1-CD1 4.16Å; L132-L137 HydrophobicContact CD1-CG 4.13Å; L132-L137 HydrophobicContact CD2-CD1 4.25Å; L132-L137 HydrophobicContact CG-CD1 4.44Å; L132-L148 HydrophobicContact CD1-CD1 4.35Å; L132-L148 HydrophobicContact CD2-CD1 3.85Å; L132-T155 PolarHBondContact N-O 3.17Å; L132-V156 HydrophobicContact CB-CG1 4.36Å; L132-V156 HydrophobicContact CB-CG2 4.23Å; L132-V156 HydrophobicContact CD2-CG1 4.24Å; L132-I157 PolarHBondContact O-N 2.91Å; L132-A160 HydrophobicContact CD2-CB 4.4Å; L132-A160 HydrophobicContact CG-CB 4.17Å; L132-F161 HydrophobicContact CD2-CE1 3.58Å; L132-F161 HydrophobicContact CD2-CZ 3.54Å
133	T	94	Very high	95.6	Very high	34 Å²	34	42.6 Å²	42.6	21%	0.209	21%	0.206	C	C	.	.			trans	-108.5	160.1	-178.3	68.9	0	0	0	0	110.8	D110 G135 I136 I157	D110-T133 PolarHBondContact OD1-OG1 3.36Å; T133-G135 PolarHBondContact O-N 3.41Å; T133-G135 PolarHBondContact OG1-N 3.29Å; T133-I136 HydrophobicContact CG2-CD1 4.43Å; T133-I136 PolarHBondContact O-N 2.98Å; T133-I136 VanDerWaalsContact OG1-CG1 3.32Å; T133-I136 WeakPolarHBondContact OG1-CG1 3.33Å; T133-I136 PolarHBondContact OG1-N 3.26Å; T133-I136 VanDerWaalsContact OG1-N 3.11Å; T133-I157 HydrophobicContact CG2-CD1 3.85Å
134	E	90.9	Very high	95.6	Very high	68 Å²	68	42.8 Å²	42.8	32%	0.318	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41	167.9	174	-177.2	-138.1	0	0	112	I136 L137 R138 N159	E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 3.35Å; E134-L137 PolarHBondContact O-N 2.96Å; E134-R138 PolarHBondContact O-N 2.97Å; E134-N159 PolarHBondContact OE1-ND2 3.5Å; E134-N159 PolarHBondContact OE2-ND2 3.48Å
135	G	92.3	Very high	95.6	Very high	15 Å²	15	46 Å²	46	16%	0.155	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.6	-180	0	0	0	0	0	113.5	D110 G111 T133 R138	D110-G135 CarbonylContact C-O 3.48Å; D110-G135 VanDerWaalsContact OD1-C 3.29Å; D110-G135 VanDerWaalsContact OD1-CA 3.23Å; D110-G135 WeakPolarHBondContact OD1-CA 3.25Å; G111-G135 PolarHBondContact N-O 2.91Å; T133-G135 PolarHBondContact O-N 3.41Å; T133-G135 PolarHBondContact OG1-N 3.29Å; G135-R138 VanDerWaalsContact O-CB 3.31Å; G135-R138 WeakPolarHBondContact O-CB 3.37Å; G135-R138 PolarHBondContact O-N 2.96Å
136	I	95.3	Very high	95.6	Very high	14 Å²	14	46 Å²	46	7%	0.072	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-45.4	179	-75.8	169.4	0	0	0	111.8	I108 D110 F113 L132 T133 E134 R138	I108-I136 HydrophobicContact CB-CD1 4.49Å; I108-I136 HydrophobicContact CB-CG1 4.11Å; I108-I136 HydrophobicContact CB-CG2 4.29Å; I108-I136 HydrophobicContact CD1-CG2 4.02Å; I108-I136 HydrophobicContact CG2-CG1 4.28Å; I108-I136 HydrophobicContact CG2-CG2 4.09Å; D110-I136 PolarHBondContact OD1-N 3.47Å; F113-I136 VanDerWaalsContact CD2-O 3.27Å; F113-I136 WeakPolarHBondContact CD2-O 3.36Å; L132-I136 HydrophobicContact CD1-CB 4.49Å; L132-I136 HydrophobicContact CD1-CG2 3.97Å; T133-I136 HydrophobicContact CG2-CD1 4.43Å; T133-I136 PolarHBondContact O-N 2.98Å; T133-I136 VanDerWaalsContact OG1-CG1 3.32Å; T133-I136 WeakPolarHBondContact OG1-CG1 3.33Å; T133-I136 PolarHBondContact OG1-N 3.26Å; T133-I136 VanDerWaalsContact OG1-N 3.11Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 3.35Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 2.73Å
137	L	94.4	Very high	95.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	12.8	-176.3	-61.7	179.9	0	0	0	113.7	L122 L132 E134 L140 L146 F161	L122-L137 HydrophobicContact CD2-CD2 4.38Å; L132-L137 HydrophobicContact CD1-CD1 4.16Å; L132-L137 HydrophobicContact CD1-CG 4.13Å; L132-L137 HydrophobicContact CD2-CD1 4.25Å; L132-L137 HydrophobicContact CG-CD1 4.44Å; E134-L137 PolarHBondContact O-N 2.96Å; L137-L140 HydrophobicContact CB-CD1 4.26Å; L137-L140 HydrophobicContact CD2-CD1 3.88Å; L137-L140 VanDerWaalsContact O-CB 3.31Å; L137-L140 WeakPolarHBondContact O-CB 3.23Å; L137-L140 WeakPolarHBondContact O-CG 3.37Å; L137-L140 PolarHBondContact O-N 3.25Å; L137-L146 HydrophobicContact CD1-CD2 3.77Å; L137-L146 HydrophobicContact CD2-CD1 4.46Å; L137-L146 HydrophobicContact CD2-CD2 4.41Å; L137-F161 HydrophobicContact CD1-CD1 3.62Å; L137-F161 HydrophobicContact CD1-CE1 3.74Å
138	R	94.3	Very high	95.6	Very high	135 Å²	135	43.8 Å²	43.8	51%	0.509	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	135.2	-171.8	-156.1	177.5	-171.5	-174.2	2.3	113.5	F113 S114 E134 G135 I136 L140 E163	F113-R138 CarbonylContact C-O 3.17Å; S114-R138 WeakPolarHBondContact CA-O 3.48Å; S114-R138 PolarHBondContact N-O 2.86Å; E134-R138 PolarHBondContact O-N 2.97Å; G135-R138 VanDerWaalsContact O-CB 3.31Å; G135-R138 WeakPolarHBondContact O-CB 3.37Å; G135-R138 PolarHBondContact O-N 2.96Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 2.73Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-E163 VanDerWaalsContact CG-CD 3.41Å; R138-E163 WeakPolarHBondContact CG-OE1 3.47Å; R138-E163 WeakPolarHBondContact CG-OE2 3.47Å; R138-E163 IonicContact CZ-OE1 2.61Å; R138-E163 IonicContact NE-OE1 3.5Å; R138-E163 PolarHBondContact NE-OE1 3.3Å; R138-E163 IonicContact NE-OE2 3.59Å; R138-E163 IonicContact NH2-OE1 2.69Å; R138-E163 PolarHBondContact NH2-OE1 3.1Å
139	G	89.8	Confident	95.6	Very high	22 Å²	22	41.4 Å²	41.4	23%	0.227	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-2.9	-178.8	0	0	0	0	0	115.9	G141 E163	G139-G141 PolarHBondContact O-N 3.43Å; G139-E163 PolarHBondContact N-OE2 3.13Å
140	L	95.6	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.			trans	-79	41.6	-177.6	-68.6	178.7	0	0	0	113.9	F113 Q116 L119 L122 L137 R138 K142 L143	F113-L140 HydrophobicContact CB-CD1 3.99Å; F113-L140 HydrophobicContact CB-CD2 3.71Å; F113-L140 HydrophobicContact CB-CG 3.83Å; F113-L140 HydrophobicContact CD2-CD1 3.99Å; F113-L140 HydrophobicContact CG-CD1 4.14Å; F113-L140 HydrophobicContact CG-CD2 4.39Å; F113-L140 HydrophobicContact CG-CG 4.5Å; Q116-L140 HydrophobicContact CB-CD2 4.25Å; L119-L140 HydrophobicContact CB-CD2 3.84Å; L119-L140 HydrophobicContact CD2-CD2 3.68Å; L119-L140 HydrophobicContact CG-CD2 4.4Å; L122-L140 HydrophobicContact CD2-CD1 3.94Å; L137-L140 HydrophobicContact CB-CD1 4.26Å; L137-L140 HydrophobicContact CD2-CD1 3.88Å; L137-L140 VanDerWaalsContact O-CB 3.31Å; L137-L140 WeakPolarHBondContact O-CB 3.23Å; L137-L140 WeakPolarHBondContact O-CG 3.37Å; L137-L140 PolarHBondContact O-N 3.25Å; R138-L140 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.82Å; L140-L143 HydrophobicContact CB-CB 4.12Å; L140-L143 HydrophobicContact CB-CD2 4.45Å; L140-L143 HydrophobicContact CD1-CD2 4.19Å; L140-L143 VanDerWaalsContact O-CB 3.26Å; L140-L143 WeakPolarHBondContact O-CB 3.26Å; L140-L143 PolarHBondContact O-N 3.32Å
141	G	94.4	Very high	95.7	Very high	29 Å²	29	35.1 Å²	35.1	30%	0.299	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.1	-171.9	0	0	0	0	0	116.5	G139 E163 N166	G139-G141 PolarHBondContact O-N 3.43Å; G141-E163 WeakPolarHBondContact CA-O 3.3Å; G141-N166 PolarHBondContact O-ND2 3.33Å
142	K	96.6	Very high	95.8	Very high	99 Å²	99	33.9 Å²	33.9	43%	0.43	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	3.7	173.8	-64	-167.8	-161.8	170.2	0	114.3	F117 N118 L119 L140 Q144	F117-K142 WeakPolarHBondContact O-CD 3.42Å; F117-K142 WeakPolarHBondContact O-CE 3.09Å; F117-K142 WeakPolarHBondContact O-CG 3.47Å; N118-K142 PolarHBondContact OD1-NZ 3.49Å; L119-K142 CarbonylContact O-C 3.56Å; L140-K142 PolarHBondContact O-N 2.82Å; K142-Q144 PolarHBondContact O-N 3.16Å
143	L	97.7	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.			trans	-64.4	128.7	-177	-169	73.1	0	0	0	110.4	L119 L122 L140 L146 N166 I167	L119-L143 HydrophobicContact CD2-CD1 4.25Å; L119-L143 HydrophobicContact CG-CD1 4.34Å; L119-L143 VanDerWaalsContact O-CA 3.24Å; L119-L143 WeakPolarHBondContact O-CA 3.48Å; L119-L143 PolarHBondContact O-N 3.49Å; L119-L143 VanDerWaalsContact O-N 3.09Å; L122-L143 HydrophobicContact CB-CD1 3.71Å; L140-L143 HydrophobicContact CB-CB 4.12Å; L140-L143 HydrophobicContact CB-CD2 4.45Å; L140-L143 HydrophobicContact CD1-CD2 4.19Å; L140-L143 VanDerWaalsContact O-CB 3.26Å; L140-L143 WeakPolarHBondContact O-CB 3.26Å; L140-L143 PolarHBondContact O-N 3.32Å; L143-L146 HydrophobicContact CD2-CB 4.04Å; L143-L146 HydrophobicContact CD2-CD1 4.3Å; L143-L146 HydrophobicContact CD2-CD2 4.35Å; L143-L146 HydrophobicContact CD2-CG 4.46Å; L143-N166 CarbonylContact O-C 3.43Å; L143-I167 HydrophobicContact CB-CG1 4.35Å; L143-I167 HydrophobicContact CD2-CD1 4.18Å; L143-I167 HydrophobicContact CD2-CG1 4.29Å; L143-I167 HydrophobicContact CG-CG1 4.37Å; L143-I167 VanDerWaalsContact O-CA 3.29Å; L143-I167 WeakPolarHBondContact O-CA 3.33Å; L143-I167 WeakPolarHBondContact O-CG1 3.46Å; L143-I167 PolarHBondContact O-N 2.84Å
144	Q	97.8	Very high	96	Very high	44 Å²	44	35.9 Å²	35.9	21%	0.206	18%	0.179	C	C	.	.			trans	-112.1	-36.8	179.4	-68.4	172.1	-79.8	0	0	111.1	Q120 K142 E168 N169	Q120-Q144 VanDerWaalsContact NE2-OE1 3.11Å; Q120-Q144 PolarHBondContact O-N 3.29Å; K142-Q144 PolarHBondContact O-N 3.16Å; Q144-E168 PolarHBondContact NE2-OE1 3.03Å; Q144-E168 PolarHBondContact NE2-OE2 3.24Å; Q144-E168 PolarHBondContact O-N 3.45Å; Q144-N169 PolarHBondContact O-N 3.43Å
145	Y	98.1	Very high	96.1	Very high	69 Å²	69	36 Å²	36	27%	0.271	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.3	-174.9	-59.4	-95.1	0	0	0	111	Q120 V121 L122 E168 N169	Q120-Y145 PolarHBondContact O-N 2.79Å; V121-Y145 HydrophobicContact CG2-CD2 4.12Å; V121-Y145 HydrophobicContact CG2-CG 4.46Å; L122-Y145 PolarHBondContact N-O 3.37Å; Y145-E168 PolarHBondContact OH-OE2 3Å; Y145-N169 HydrophobicContact CD1-CB 3.61Å; Y145-N169 HydrophobicContact CE1-CB 3.93Å; Y145-N169 HydrophobicContact CG-CB 4.48Å
146	L	97.9	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.1	179.9	178.2	57.9	0	0	0	111	L122 L137 L143 L148 F161 I167 N169 D171	L122-L146 HydrophobicContact CB-CD1 4.19Å; L122-L146 HydrophobicContact CD2-CD1 4.12Å; L122-L146 HydrophobicContact CG-CD1 4.17Å; L137-L146 HydrophobicContact CD1-CD2 3.77Å; L137-L146 HydrophobicContact CD2-CD1 4.46Å; L137-L146 HydrophobicContact CD2-CD2 4.41Å; L143-L146 HydrophobicContact CD2-CB 4.04Å; L143-L146 HydrophobicContact CD2-CD1 4.3Å; L143-L146 HydrophobicContact CD2-CD2 4.35Å; L143-L146 HydrophobicContact CD2-CG 4.46Å; L146-L148 HydrophobicContact CD1-CD1 4.14Å; L146-L148 HydrophobicContact CD1-CD2 4.46Å; L146-L148 HydrophobicContact CD1-CG 4Å; L146-L148 HydrophobicContact CD2-CD1 3.95Å; L146-L148 HydrophobicContact CG-CD1 3.95Å; L146-L148 HydrophobicContact CG-CG 4.12Å; L146-F161 HydrophobicContact CD2-CD1 4.27Å; L146-F161 HydrophobicContact CD2-CE1 3.73Å; L146-I167 HydrophobicContact CD2-CD1 4.4Å; L146-N169 PolarHBondContact N-O 3.43Å; L146-D171 PolarHBondContact O-N 2.95Å
147	Y	98.1	Very high	96.2	Very high	63 Å²	63	38.7 Å²	38.7	25%	0.247	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.5	-179	-57.6	-84	0	0	0	110.9	V121 L122 Q123 M124 G125 D171	V121-Y147 HydrophobicContact CG1-CE2 4.28Å; L122-Y147 PolarHBondContact O-N 3.42Å; Q123-Y147 HydrophobicContact CG-CD2 3.53Å; Q123-Y147 HydrophobicContact CG-CE2 4.23Å; Q123-Y147 HydrophobicContact CG-CG 4.19Å; M124-Y147 CarbonylContact C-O 3.59Å; M124-Y147 PolarHBondContact N-O 3.5Å; G125-Y147 PolarHBondContact N-O 3.26Å; Y147-D171 HydrophobicContact CD1-CB 3.89Å
148	L	97.8	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.			trans	-122	13.1	-176.7	-71.6	168.4	0	0	0	112.4	M124 L129 L132 L146 N151 I153 D171 L172 N175	M124-L148 HydrophobicContact CB-CD2 4.2Å; M124-L148 HydrophobicContact CE-CD2 3.8Å; L129-L148 HydrophobicContact CD1-CD2 4.01Å; L132-L148 HydrophobicContact CD1-CD1 4.35Å; L132-L148 HydrophobicContact CD2-CD1 3.85Å; L146-L148 HydrophobicContact CD1-CD1 4.14Å; L146-L148 HydrophobicContact CD1-CD2 4.46Å; L146-L148 HydrophobicContact CD1-CG 4Å; L146-L148 HydrophobicContact CD2-CD1 3.95Å; L146-L148 HydrophobicContact CG-CD1 3.95Å; L146-L148 HydrophobicContact CG-CG 4.12Å; L148-N151 PolarHBondContact O-ND2 2.87Å; L148-I153 HydrophobicContact CB-CD1 4.11Å; L148-I153 HydrophobicContact CD1-CD1 4.27Å; L148-I153 HydrophobicContact CD2-CD1 4.43Å; L148-D171 CarbonylContact C-O 3.33Å; L148-D171 WeakPolarHBondContact CA-O 3.24Å; L148-D171 WeakPolarHBondContact CB-O 3.44Å; L148-D171 PolarHBondContact N-O 3.36Å; L148-L172 HydrophobicContact CB-CD2 3.95Å; L148-L172 HydrophobicContact CD1-CD2 3.73Å; L148-N175 PolarHBondContact O-ND2 3.23Å
149	Q	96.9	Very high	95.9	Very high	33 Å²	33	39.5 Å²	39.5	15%	0.154	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	152.6	-173.8	68.4	-76.9	86.9	0	0	113.9	G125 F126 N151 D171 S173	G125-Q149 CarbonylContact C-O 3.44Å; G125-Q149 WeakPolarHBondContact CA-O 3.3Å; F126-Q149 HydrophobicContact CE2-CG 4.29Å; F126-Q149 PolarHBondContact N-O 3.14Å; Q149-N151 PolarHBondContact O-N 3.43Å; Q149-N151 PolarHBondContact O-ND2 3.13Å; Q149-D171 WeakPolarHBondContact CB-OD2 3.07Å; Q149-D171 PolarHBondContact N-O 3.01Å; Q149-D171 PolarHBondContact NE2-OD2 3.03Å; Q149-S173 CarbonylContact C-O 3.11Å; Q149-S173 VanDerWaalsContact CA-O 3.23Å; Q149-S173 WeakPolarHBondContact CA-O 3.33Å; Q149-S173 WeakPolarHBondContact CB-OG 3.29Å
150	A	97.3	Very high	96.1	Very high	22 Å²	22	38.6 Å²	38.6	18%	0.182	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	37	177.9	0	0	0	0	0	113.6	F126 S173 M174	F126-A150 WeakPolarHBondContact CA-O 3.2Å; F126-A150 HydrophobicContact CD1-CB 3.6Å; F126-A150 HydrophobicContact CD2-CB 4.44Å; F126-A150 HydrophobicContact CE1-CB 3.65Å; F126-A150 HydrophobicContact CE2-CB 4.47Å; F126-A150 HydrophobicContact CG-CB 4.01Å; F126-A150 HydrophobicContact CZ-CB 4.1Å; A150-S173 PolarHBondContact N-O 3.06Å; A150-M174 WeakPolarHBondContact CA-O 3.49Å; A150-M174 HydrophobicContact CB-CB 4.13Å; A150-M174 HydrophobicContact CB-SD 4.45Å
151	N	98.4	Very high	96	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.027	20%	0.197	C	C	.	.	S	Bend	trans	-93.4	-163.2	164.8	-87.2	-88.8	0	0	0	109.6	M124 N127 K128 L129 L148 Q149 I153 N175	M124-N151 PolarHBondContact O-ND2 2.93Å; N127-N151 VanDerWaalsContact CA-OD1 3.32Å; N127-N151 WeakPolarHBondContact CA-OD1 3.34Å; N127-N151 WeakPolarHBondContact CB-OD1 3.29Å; N127-N151 PolarHBondContact O-OD1 3.35Å; K128-N151 PolarHBondContact N-OD1 3.39Å; L129-N151 HydrophobicContact CB-CB 4.37Å; L129-N151 WeakPolarHBondContact CB-OD1 3.37Å; L129-N151 WeakPolarHBondContact CG-OD1 3.34Å; L129-N151 PolarHBondContact N-OD1 3.12Å; L129-N151 VanDerWaalsContact N-OD1 3.08Å; L148-N151 PolarHBondContact O-ND2 2.87Å; Q149-N151 PolarHBondContact O-N 3.43Å; Q149-N151 PolarHBondContact O-ND2 3.13Å; N151-I153 HydrophobicContact CB-CD1 4.27Å; N151-I153 HydrophobicContact CB-CG1 4.03Å; N151-N175 VanDerWaalsContact CA-OD1 3.31Å; N151-N175 WeakPolarHBondContact CA-OD1 3.39Å; N151-N175 WeakPolarHBondContact CB-OD1 3.27Å; N151-N175 PolarHBondContact N-OD1 2.82Å; N151-N175 PolarHBondContact O-OD1 3.45Å
152	L	97.8	Very high	95.9	Very high	58 Å²	58	45.2 Å²	45.2	30%	0.304	21%	0.213	S	C	.	.			trans	-117.1	29	177.8	-59.5	173.8	0	0	0	110.9	K128 L129 R130 E154 N175	K128-L152 HydrophobicContact CB-CD1 4.47Å; L129-L152 CarbonylContact O-C 3.55Å; L129-L152 VanDerWaalsContact O-CA 3.25Å; L129-L152 WeakPolarHBondContact O-CA 3.47Å; L129-L152 WeakPolarHBondContact O-CB 3.47Å; L129-L152 PolarHBondContact O-N 3.38Å; R130-L152 WeakPolarHBondContact CA-O 3.44Å; R130-L152 HydrophobicContact CG-CB 4.21Å; L152-E154 PolarHBondContact O-N 3.05Å; L152-E154 VanDerWaalsContact O-N 3.12Å; L152-N175 PolarHBondContact N-OD1 2.86Å
153	I	98.1	Very high	95.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.205	C	C	.	.			trans	-66.9	113.9	-170.7	-59.7	170.4	0	0	0	109.6	L129 R130 L148 N151 T155 V156 L172 N175 R176 I177	L129-I153 HydrophobicContact CB-CG1 4.34Å; L129-I153 PolarHBondContact O-N 2.63Å; R130-I153 CarbonylContact O-C 3.52Å; R130-I153 VanDerWaalsContact O-CA 3.28Å; R130-I153 WeakPolarHBondContact O-CA 3.37Å; L148-I153 HydrophobicContact CB-CD1 4.11Å; L148-I153 HydrophobicContact CD1-CD1 4.27Å; L148-I153 HydrophobicContact CD2-CD1 4.43Å; N151-I153 HydrophobicContact CB-CD1 4.27Å; N151-I153 HydrophobicContact CB-CG1 4.03Å; I153-T155 WeakPolarHBondContact CG2-O 3.31Å; I153-V156 HydrophobicContact CG2-CG2 3.85Å; I153-L172 HydrophobicContact CD1-CD2 4.01Å; I153-N175 HydrophobicContact CB-CB 4.2Å; I153-N175 VanDerWaalsContact CB-OD1 3.31Å; I153-N175 WeakPolarHBondContact CB-OD1 3.39Å; I153-N175 WeakPolarHBondContact CG1-OD1 3.25Å; I153-N175 PolarHBondContact N-OD1 3.24Å; I153-R176 CarbonylContact O-C 3.53Å; I153-R176 VanDerWaalsContact O-CA 3.23Å; I153-R176 WeakPolarHBondContact O-CA 3.27Å; I153-R176 WeakPolarHBondContact O-CB 3.12Å; I153-R176 PolarHBondContact O-N 2.91Å; I153-I177 HydrophobicContact CB-CG1 4.44Å; I153-I177 HydrophobicContact CG2-CD1 4.43Å; I153-I177 HydrophobicContact CG2-CG1 4.17Å; I153-I177 VanDerWaalsContact O-CG1 3.31Å; I153-I177 WeakPolarHBondContact O-CG1 3.35Å; I153-I177 PolarHBondContact O-N 3.23Å
154	E	96.1	Very high	95.6	Very high	75 Å²	75	43.2 Å²	43.2	35%	0.35	21%	0.205	S	C	.	.			trans	-96.7	-35.4	178.4	-73.8	165.8	-174.5	0	0	110.8	R130 L152 R176	R130-E154 PolarHBondContact O-N 2.88Å; L152-E154 PolarHBondContact O-N 3.05Å; L152-E154 VanDerWaalsContact O-N 3.12Å; E154-R176 HydrophobicContact CG-CB 3.6Å
155	T	94.3	Very high	95.4	Very high	71 Å²	71	43.7 Å²	43.7	44%	0.436	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.1	179.5	67.6	0	0	0	0	113.1	N131 L132 I153	N131-T155 WeakPolarHBondContact CA-O 3.48Å; N131-T155 VanDerWaalsContact CG-OG1 3.23Å; N131-T155 PolarHBondContact OD1-OG1 3.33Å; L132-T155 PolarHBondContact N-O 3.17Å; I153-T155 WeakPolarHBondContact CG2-O 3.31Å
156	V	96.1	Very high	95.3	Very high	17 Å²	17	42.8 Å²	42.8	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.1	169.2	179.6	0	0	0	0	106.8	L132 I153 A160 F161 I177 L180 T184	L132-V156 HydrophobicContact CB-CG1 4.36Å; L132-V156 HydrophobicContact CB-CG2 4.23Å; L132-V156 HydrophobicContact CD2-CG1 4.24Å; I153-V156 HydrophobicContact CG2-CG2 3.85Å; V156-A160 HydrophobicContact CG1-CB 3.96Å; V156-F161 HydrophobicContact CG1-CE2 4.01Å; V156-F161 HydrophobicContact CG1-CZ 4.29Å; V156-I177 HydrophobicContact CG2-CD1 4.16Å; V156-L180 HydrophobicContact CB-CD2 3.91Å; V156-L180 HydrophobicContact CG2-CD2 4.1Å; V156-T184 HydrophobicContact CG1-CG2 3.9Å
157	I	93.4	Very high	95.2	Very high	68 Å²	68	42.8 Å²	42.8	35%	0.349	21%	0.211	S	C	.	.			trans	-74	142.2	179.5	-53.5	-176.5	0	0	0	109.3	L132 T133 N159 A160	L132-I157 PolarHBondContact O-N 2.91Å; T133-I157 HydrophobicContact CG2-CD1 3.85Å; I157-N159 WeakPolarHBondContact CG2-OD1 3.22Å; I157-N159 PolarHBondContact O-N 3.44Å; I157-A160 WeakPolarHBondContact O-CB 3.41Å; I157-A160 PolarHBondContact O-N 3.31Å
158	H	90.2	Very high	95.1	Very high	109 Å²	109	41.5 Å²	41.5	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-14.8	-177.3	65.9	79.4	0	0	0	115.5	D181 T184	H158-D181 HydrophobicContact CB-CB 4.39Å; H158-T184 WeakPolarHBondContact O-CA 3.45Å
159	N	91.8	Very high	95	Very high	45 Å²	45	43 Å²	43	24%	0.241	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	10.4	174.3	71.6	-20.7	0	0	0	113.7	E134 I157 F161 W162	E134-N159 PolarHBondContact OE1-ND2 3.5Å; E134-N159 PolarHBondContact OE2-ND2 3.48Å; I157-N159 WeakPolarHBondContact CG2-OD1 3.22Å; I157-N159 PolarHBondContact O-N 3.44Å; N159-F161 PolarHBondContact O-N 2.97Å; N159-W162 HydrophobicContact CB-CB 4.33Å; N159-W162 VanDerWaalsContact O-CB 3.24Å; N159-W162 WeakPolarHBondContact O-CB 3.34Å; N159-W162 PolarHBondContact O-N 2.92Å
160	A	93.7	Very high	94.9	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.1	-174.6	0	0	0	0	0	114.6	L132 V156 I157	L132-A160 HydrophobicContact CD2-CB 4.4Å; L132-A160 HydrophobicContact CG-CB 4.17Å; V156-A160 HydrophobicContact CG1-CB 3.96Å; I157-A160 WeakPolarHBondContact O-CB 3.41Å; I157-A160 PolarHBondContact O-N 3.31Å
161	F	94.6	Very high	94.8	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	12.7	179.1	-48.7	-69.3	0	0	0	114	L132 L137 L146 V156 N159 C164 I167 I170 L172 T184 F185 S187 L188	L132-F161 HydrophobicContact CD2-CE1 3.58Å; L132-F161 HydrophobicContact CD2-CZ 3.54Å; L137-F161 HydrophobicContact CD1-CD1 3.62Å; L137-F161 HydrophobicContact CD1-CE1 3.74Å; L146-F161 HydrophobicContact CD2-CD1 4.27Å; L146-F161 HydrophobicContact CD2-CE1 3.73Å; V156-F161 HydrophobicContact CG1-CE2 4.01Å; V156-F161 HydrophobicContact CG1-CZ 4.29Å; N159-F161 PolarHBondContact O-N 2.97Å; F161-C164 PolarHBondContact O-N 3.19Å; F161-C164 VanDerWaalsContact O-N 3.1Å; F161-I167 HydrophobicContact CD1-CD1 4.15Å; F161-I170 HydrophobicContact CD1-CD1 4.24Å; F161-I170 HydrophobicContact CD2-CD1 4.47Å; F161-I170 HydrophobicContact CE1-CD1 4.08Å; F161-I170 HydrophobicContact CE2-CD1 4.32Å; F161-I170 HydrophobicContact CG-CD1 4.44Å; F161-I170 HydrophobicContact CZ-CD1 4.12Å; F161-L172 HydrophobicContact CZ-CD1 4.28Å; F161-T184 HydrophobicContact CD2-CG2 3.9Å; F161-T184 HydrophobicContact CE2-CG2 3.84Å; F161-F185 HydrophobicContact CD2-CD1 4.5Å; F161-F185 HydrophobicContact CD2-CE1 4.43Å; F161-F185 HydrophobicContact CE2-CD1 4.43Å; F161-F185 AromaticContact CE2-CE1 3.92Å; F161-F185 HydrophobicContact CE2-CE1 3.92Å; F161-S187 PolarHBondContact O-OG 3.22Å; F161-L188 HydrophobicContact CB-CD1 3.93Å; F161-L188 HydrophobicContact CB-CD2 3.96Å; F161-L188 HydrophobicContact CB-CG 4.21Å; F161-L188 HydrophobicContact CD2-CD1 4.33Å; F161-L188 HydrophobicContact CG-CD1 4.16Å
162	W	91.7	Very high	94.6	Very high	168 Å²	168	40.8 Å²	40.8	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-49.4	-177.4	163.7	-106.8	0	0	0	113	N159 C164	N159-W162 HydrophobicContact CB-CB 4.33Å; N159-W162 VanDerWaalsContact O-CB 3.24Å; N159-W162 WeakPolarHBondContact O-CB 3.34Å; N159-W162 PolarHBondContact O-N 2.92Å; W162-C164 PolarHBondContact O-N 3.01Å
163	E	92.3	Very high	94.5	Very high	57 Å²	57	38 Å²	38	27%	0.266	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	5.7	177.7	-68.6	-163.9	-166.9	0	0	113.8	R138 G139 G141 P165	R138-E163 VanDerWaalsContact CG-CD 3.41Å; R138-E163 WeakPolarHBondContact CG-OE1 3.47Å; R138-E163 WeakPolarHBondContact CG-OE2 3.47Å; R138-E163 IonicContact CZ-OE1 2.61Å; R138-E163 IonicContact NE-OE1 3.5Å; R138-E163 PolarHBondContact NE-OE1 3.3Å; R138-E163 IonicContact NE-OE2 3.59Å; R138-E163 IonicContact NH2-OE1 2.69Å; R138-E163 PolarHBondContact NH2-OE1 3.1Å; G139-E163 PolarHBondContact N-OE2 3.13Å; G141-E163 WeakPolarHBondContact CA-O 3.3Å; E163-P165 VanDerWaalsContact O-CD 3.3Å; E163-P165 WeakPolarHBondContact O-CD 3.43Å
164	C	95.1	Very high	94.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.			trans	-117.9	49.3	-176.4	-59.9	0	0	0	0	114.4	F161 W162 N166 I167 L188	F161-C164 PolarHBondContact O-N 3.19Å; F161-C164 VanDerWaalsContact O-N 3.1Å; W162-C164 PolarHBondContact O-N 3.01Å; C164-N166 PolarHBondContact O-N 2.95Å; C164-I167 HydrophobicContact CB-CD1 3.47Å; C164-I167 VanDerWaalsContact CB-CD1 3.47Å; C164-I167 HydrophobicContact CB-CG1 3.92Å; C164-I167 WeakPolarHBondContact O-CG1 3.15Å; C164-I167 PolarHBondContact O-N 3.26Å; C164-L188 WeakPolarHBondContact O-CD2 3.11Å
165	P	94.2	Very high	94.4	Very high	54 Å²	54	39.2 Å²	39.2	35%	0.351	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-6.8	-170.2	30.9	-38.9	0	0	0	115.3	E163	E163-P165 VanDerWaalsContact O-CD 3.3Å; E163-P165 WeakPolarHBondContact O-CD 3.43Å
166	N	96.1	Very high	94.6	Very high	49 Å²	49	42.1 Å²	42.1	26%	0.262	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	1.8	-178.8	-79.4	-66.4	0	0	0	114.5	G141 L143 C164 E168 K190	G141-N166 PolarHBondContact O-ND2 3.33Å; L143-N166 CarbonylContact O-C 3.43Å; C164-N166 PolarHBondContact O-N 2.95Å; N166-E168 PolarHBondContact O-N 3.44Å; N166-K190 WeakPolarHBondContact OD1-CE 3.43Å; N166-K190 PolarHBondContact OD1-NZ 3.08Å
167	I	96.3	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.			trans	-64.1	126.1	-177.4	-63.5	169.8	0	0	0	110.9	L143 L146 F161 C164 N169 I170 L188 K190 L191	L143-I167 HydrophobicContact CB-CG1 4.35Å; L143-I167 HydrophobicContact CD2-CD1 4.18Å; L143-I167 HydrophobicContact CD2-CG1 4.29Å; L143-I167 HydrophobicContact CG-CG1 4.37Å; L143-I167 VanDerWaalsContact O-CA 3.29Å; L143-I167 WeakPolarHBondContact O-CA 3.33Å; L143-I167 WeakPolarHBondContact O-CG1 3.46Å; L143-I167 PolarHBondContact O-N 2.84Å; L146-I167 HydrophobicContact CD2-CD1 4.4Å; F161-I167 HydrophobicContact CD1-CD1 4.15Å; C164-I167 HydrophobicContact CB-CD1 3.47Å; C164-I167 VanDerWaalsContact CB-CD1 3.47Å; C164-I167 HydrophobicContact CB-CG1 3.92Å; C164-I167 WeakPolarHBondContact O-CG1 3.15Å; C164-I167 PolarHBondContact O-N 3.26Å; I167-N169 WeakPolarHBondContact CG2-O 3.45Å; I167-I170 HydrophobicContact CD1-CD1 4.39Å; I167-I170 HydrophobicContact CG2-CD1 4.04Å; I167-I170 HydrophobicContact CG2-CG1 3.49Å; I167-I170 VanDerWaalsContact CG2-CG1 3.49Å; I167-L188 HydrophobicContact CB-CD2 4.37Å; I167-L188 HydrophobicContact CD1-CD2 4.47Å; I167-K190 CarbonylContact O-C 3.53Å; I167-L191 HydrophobicContact CG2-CD1 4.1Å; I167-L191 WeakPolarHBondContact O-CA 3.19Å; I167-L191 PolarHBondContact O-N 3.09Å
168	E	95.4	Very high	94.6	Very high	36 Å²	36	42.7 Å²	42.7	17%	0.168	20%	0.197	C	C	.	.			trans	-97.5	-36.8	175.3	-71.5	159.6	-161.2	0	0	110.6	Q144 Y145 N166 K190 T192 T193	Q144-E168 PolarHBondContact NE2-OE1 3.03Å; Q144-E168 PolarHBondContact NE2-OE2 3.24Å; Q144-E168 PolarHBondContact O-N 3.45Å; Y145-E168 PolarHBondContact OH-OE2 3Å; N166-E168 PolarHBondContact O-N 3.44Å; E168-K190 HydrophobicContact CG-CB 4.34Å; E168-T192 HydrophobicContact CB-CG2 4.44Å; E168-T192 WeakPolarHBondContact O-CA 3.21Å; E168-T192 PolarHBondContact O-N 3.27Å; E168-T192 PolarHBondContact O-OG1 2.97Å; E168-T192 VanDerWaalsContact O-OG1 3.05Å; E168-T193 PolarHBondContact O-N 3.34Å
169	N	94.9	Very high	94.7	Very high	31 Å²	31	40.8 Å²	40.8	17%	0.166	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.8	-175.7	-71.6	46.9	0	0	0	112.3	Q144 Y145 L146 I167 T192 T193	Q144-N169 PolarHBondContact O-N 3.43Å; Y145-N169 HydrophobicContact CD1-CB 3.61Å; Y145-N169 HydrophobicContact CE1-CB 3.93Å; Y145-N169 HydrophobicContact CG-CB 4.48Å; L146-N169 PolarHBondContact N-O 3.43Å; I167-N169 WeakPolarHBondContact CG2-O 3.45Å; N169-T192 PolarHBondContact OD1-OG1 3.46Å; N169-T192 VanDerWaalsContact OD1-OG1 3.11Å; N169-T193 WeakPolarHBondContact CA-O 3.16Å; N169-T193 WeakPolarHBondContact ND2-CB 3.07Å; N169-T193 PolarHBondContact ND2-OG1 3.12Å
170	I	94.8	Very high	94.8	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.7	170.5	-63	-179.8	0	0	0	109.9	F161 I167 L172 F185 L188 L191 T193 C194 E195	F161-I170 HydrophobicContact CD1-CD1 4.24Å; F161-I170 HydrophobicContact CD2-CD1 4.47Å; F161-I170 HydrophobicContact CE1-CD1 4.08Å; F161-I170 HydrophobicContact CE2-CD1 4.32Å; F161-I170 HydrophobicContact CG-CD1 4.44Å; F161-I170 HydrophobicContact CZ-CD1 4.12Å; I167-I170 HydrophobicContact CD1-CD1 4.39Å; I167-I170 HydrophobicContact CG2-CD1 4.04Å; I167-I170 HydrophobicContact CG2-CG1 3.49Å; I167-I170 VanDerWaalsContact CG2-CG1 3.49Å; I170-L172 HydrophobicContact CG2-CD1 3.71Å; I170-L172 HydrophobicContact CG2-CG 3.69Å; I170-F185 HydrophobicContact CD1-CD1 4.43Å; I170-F185 HydrophobicContact CD1-CE1 4.32Å; I170-L188 HydrophobicContact CD1-CD1 3.56Å; I170-L191 HydrophobicContact CB-CD1 4.34Å; I170-L191 HydrophobicContact CD1-CD1 4.04Å; I170-L191 HydrophobicContact CG1-CD1 3.84Å; I170-T193 PolarHBondContact N-O 3.22Å; I170-C194 CarbonylContact O-C 3.6Å; I170-C194 WeakPolarHBondContact O-CA 3.02Å; I170-E195 PolarHBondContact O-N 3.48Å
171	D	95.2	Very high	94.7	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.4	166.7	-177.5	3	0	0	0	110.7	L146 Y147 L148 Q149 S173 E195	L146-D171 PolarHBondContact O-N 2.95Å; Y147-D171 HydrophobicContact CD1-CB 3.89Å; L148-D171 CarbonylContact C-O 3.33Å; L148-D171 WeakPolarHBondContact CA-O 3.24Å; L148-D171 WeakPolarHBondContact CB-O 3.44Å; L148-D171 PolarHBondContact N-O 3.36Å; Q149-D171 WeakPolarHBondContact CB-OD2 3.07Å; Q149-D171 PolarHBondContact N-O 3.01Å; Q149-D171 PolarHBondContact NE2-OD2 3.03Å; D171-S173 WeakPolarHBondContact OD1-CB 3.16Å; D171-S173 PolarHBondContact OD1-N 3.46Å; D171-S173 PolarHBondContact OD1-OG 3.44Å; D171-E195 HydrophobicContact CB-CB 4.27Å
172	L	95.4	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.2	C	C	.	.			trans	-114.3	16.9	175.3	-77.2	165.4	0	0	0	111.2	L148 I153 F161 I170 N175 I177 E195 L196 N199	L148-L172 HydrophobicContact CB-CD2 3.95Å; L148-L172 HydrophobicContact CD1-CD2 3.73Å; I153-L172 HydrophobicContact CD1-CD2 4.01Å; F161-L172 HydrophobicContact CZ-CD1 4.28Å; I170-L172 HydrophobicContact CG2-CD1 3.71Å; I170-L172 HydrophobicContact CG2-CG 3.69Å; L172-N175 PolarHBondContact O-ND2 3.45Å; L172-N175 VanDerWaalsContact O-ND2 3.11Å; L172-I177 HydrophobicContact CB-CD1 4.1Å; L172-I177 HydrophobicContact CD1-CD1 4.39Å; L172-I177 HydrophobicContact CD2-CD1 4.24Å; L172-I177 HydrophobicContact CG-CD1 4.49Å; L172-E195 CarbonylContact C-O 3.45Å; L172-E195 WeakPolarHBondContact CA-O 3.41Å; L172-E195 PolarHBondContact N-O 3.11Å; L172-L196 HydrophobicContact CB-CD2 3.6Å; L172-L196 HydrophobicContact CB-CG 4.48Å; L172-L196 HydrophobicContact CD1-CD2 4.13Å; L172-N199 PolarHBondContact O-ND2 2.76Å
173	S	94.4	Very high	94	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	160.7	-178.1	66.6	0	0	0	0	113.3	Q149 A150 D171 N175 E195 Y197	Q149-S173 CarbonylContact C-O 3.11Å; Q149-S173 VanDerWaalsContact CA-O 3.23Å; Q149-S173 WeakPolarHBondContact CA-O 3.33Å; Q149-S173 WeakPolarHBondContact CB-OG 3.29Å; A150-S173 PolarHBondContact N-O 3.06Å; D171-S173 WeakPolarHBondContact OD1-CB 3.16Å; D171-S173 PolarHBondContact OD1-N 3.46Å; D171-S173 PolarHBondContact OD1-OG 3.44Å; S173-N175 PolarHBondContact O-N 2.99Å; S173-N175 VanDerWaalsContact O-N 3.16Å; S173-N175 PolarHBondContact O-ND2 3.24Å; S173-E195 PolarHBondContact N-O 3.34Å; S173-Y197 WeakPolarHBondContact CA-O 3.36Å; S173-Y197 WeakPolarHBondContact CB-O 3.36Å; S173-Y197 PolarHBondContact OG-OH 2.79Å
174	M	95.4	Very high	93.9	Very high	94 Å²	94	34 Å²	34	46%	0.463	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	31.4	177	-53.9	-179.8	69.8	0	0	114.2	A150 Y197 T198	A150-M174 WeakPolarHBondContact CA-O 3.49Å; A150-M174 HydrophobicContact CB-CB 4.13Å; A150-M174 HydrophobicContact CB-SD 4.45Å; M174-Y197 HydrophobicContact CG-CE2 4.03Å; M174-Y197 PolarHBondContact N-O 2.82Å; M174-T198 WeakPolarHBondContact CA-OG1 3.46Å; M174-T198 VanDerWaalsContact CG-OG1 3.25Å; M174-T198 WeakPolarHBondContact CG-OG1 3.25Å; M174-T198 PolarHBondContact N-OG1 3.49Å
175	N	97.8	Very high	93.7	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.043	17%	0.172	C	C	.	.	S	Bend	trans	-102.5	-162.1	177.6	-86.2	-78.7	0	0	0	111.1	L148 N151 L152 I153 L172 S173 I177 N199	L148-N175 PolarHBondContact O-ND2 3.23Å; N151-N175 VanDerWaalsContact CA-OD1 3.31Å; N151-N175 WeakPolarHBondContact CA-OD1 3.39Å; N151-N175 WeakPolarHBondContact CB-OD1 3.27Å; N151-N175 PolarHBondContact N-OD1 2.82Å; N151-N175 PolarHBondContact O-OD1 3.45Å; L152-N175 PolarHBondContact N-OD1 2.86Å; I153-N175 HydrophobicContact CB-CB 4.2Å; I153-N175 VanDerWaalsContact CB-OD1 3.31Å; I153-N175 WeakPolarHBondContact CB-OD1 3.39Å; I153-N175 WeakPolarHBondContact CG1-OD1 3.25Å; I153-N175 PolarHBondContact N-OD1 3.24Å; L172-N175 PolarHBondContact O-ND2 3.45Å; L172-N175 VanDerWaalsContact O-ND2 3.11Å; S173-N175 PolarHBondContact O-N 2.99Å; S173-N175 VanDerWaalsContact O-N 3.16Å; S173-N175 PolarHBondContact O-ND2 3.24Å; N175-I177 HydrophobicContact CB-CD1 4.33Å; N175-I177 HydrophobicContact CB-CG1 4.13Å; N175-N199 VanDerWaalsContact CA-OD1 3.28Å; N175-N199 WeakPolarHBondContact CA-OD1 3.47Å; N175-N199 WeakPolarHBondContact CB-OD1 3.23Å; N175-N199 PolarHBondContact N-OD1 3.48Å; N175-N199 PolarHBondContact O-OD1 2.82Å
176	R	97.1	Very high	93.2	Very high	132 Å²	132	36.8 Å²	36.8	50%	0.498	19%	0.187	S	C	.	.			trans	-118.5	22.3	-178	-67.2	-177.5	168	-119.4	-12.1	112.5	I153 E154 Q178 N199	I153-R176 CarbonylContact O-C 3.53Å; I153-R176 VanDerWaalsContact O-CA 3.23Å; I153-R176 WeakPolarHBondContact O-CA 3.27Å; I153-R176 WeakPolarHBondContact O-CB 3.12Å; I153-R176 PolarHBondContact O-N 2.91Å; E154-R176 HydrophobicContact CG-CB 3.6Å; R176-Q178 PolarHBondContact O-N 2.82Å; R176-Q178 VanDerWaalsContact O-N 3.17Å; R176-N199 PolarHBondContact N-OD1 3.12Å
177	I	96.3	Very high	92.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.			trans	-68.9	113.6	-173.6	-57	173.6	0	0	0	108.9	I153 V156 L172 N175 Q179 L180 L196 N199 F201	I153-I177 HydrophobicContact CB-CG1 4.44Å; I153-I177 HydrophobicContact CG2-CD1 4.43Å; I153-I177 HydrophobicContact CG2-CG1 4.17Å; I153-I177 VanDerWaalsContact O-CG1 3.31Å; I153-I177 WeakPolarHBondContact O-CG1 3.35Å; I153-I177 PolarHBondContact O-N 3.23Å; V156-I177 HydrophobicContact CG2-CD1 4.16Å; L172-I177 HydrophobicContact CB-CD1 4.1Å; L172-I177 HydrophobicContact CD1-CD1 4.39Å; L172-I177 HydrophobicContact CD2-CD1 4.24Å; L172-I177 HydrophobicContact CG-CD1 4.49Å; N175-I177 HydrophobicContact CB-CD1 4.33Å; N175-I177 HydrophobicContact CB-CG1 4.13Å; I177-Q179 WeakPolarHBondContact CG2-O 3.39Å; I177-L180 HydrophobicContact CG2-CD1 4.23Å; I177-L180 HydrophobicContact CG2-CD2 3.79Å; I177-L180 HydrophobicContact CG2-CG 3.67Å; I177-L196 HydrophobicContact CD1-CD2 4.26Å; I177-N199 HydrophobicContact CB-CB 4.25Å; I177-N199 WeakPolarHBondContact CB-OD1 3.34Å; I177-N199 WeakPolarHBondContact CG1-OD1 3.49Å; I177-N199 PolarHBondContact N-OD1 3.36Å; I177-F201 HydrophobicContact CG2-CE1 4.35Å
178	Q	94.8	Very high	92.5	Very high	96 Å²	96	36.5 Å²	36.5	45%	0.449	19%	0.189	S	C	.	.			trans	-88.1	-36	174.7	-69.3	174.4	60.8	0	0	111.4	R176 P200 F201 N202	R176-Q178 PolarHBondContact O-N 2.82Å; R176-Q178 VanDerWaalsContact O-N 3.17Å; Q178-P200 HydrophobicContact CG-CG 4.29Å; Q178-F201 WeakPolarHBondContact O-CA 3.16Å; Q178-N202 HydrophobicContact CB-CB 4.17Å; Q178-N202 PolarHBondContact O-N 2.65Å
179	Q	92.4	Very high	92.3	Very high	69 Å²	69	40.1 Å²	40.1	32%	0.322	22%	0.218	S	C	.	.			trans	-139.2	148	-174.9	-68.3	178.5	-22.6	0	0	111.2	I177 N202 S204 E206	I177-Q179 WeakPolarHBondContact CG2-O 3.39Å; Q179-N202 HydrophobicContact CG-CB 4.37Å; Q179-S204 PolarHBondContact NE2-OG 2.73Å; Q179-S204 VanDerWaalsContact NE2-OG 3.07Å; Q179-E206 PolarHBondContact NE2-OE2 2.96Å
180	L	93.5	Very high	92.2	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	23%	0.23	C	C	.	.			trans	-137.4	142.8	169.5	-69.6	171.1	0	0	0	107.3	V156 I177 F185 L196 F201 F210	V156-L180 HydrophobicContact CB-CD2 3.91Å; V156-L180 HydrophobicContact CG2-CD2 4.1Å; I177-L180 HydrophobicContact CG2-CD1 4.23Å; I177-L180 HydrophobicContact CG2-CD2 3.79Å; I177-L180 HydrophobicContact CG2-CG 3.67Å; L180-F185 HydrophobicContact CD1-CE2 4.11Å; L180-F185 HydrophobicContact CD1-CZ 4.13Å; L180-L196 HydrophobicContact CD1-CD1 3.85Å; L180-L196 HydrophobicContact CD1-CD2 3.9Å; L180-F201 HydrophobicContact CD1-CE1 4.3Å; L180-F210 HydrophobicContact CB-CB 4.11Å; L180-F210 HydrophobicContact CB-CD1 4.36Å; L180-F210 HydrophobicContact CB-CD2 3.87Å; L180-F210 HydrophobicContact CB-CE2 4.47Å; L180-F210 HydrophobicContact CB-CG 3.83Å; L180-F210 HydrophobicContact CD1-CD2 4.07Å; L180-F210 HydrophobicContact CD1-CE1 4.4Å; L180-F210 HydrophobicContact CD1-CE2 3.81Å; L180-F210 HydrophobicContact CD1-CG 4.49Å; L180-F210 HydrophobicContact CD1-CZ 4.01Å; L180-F210 WeakPolarHBondContact O-CB 3.28Å
181	D	91	Very high	92.1	Very high	75 Å²	75	43.8 Å²	43.8	40%	0.401	23%	0.233	S	C	.	.			trans	-82.1	143.3	164.7	-175.2	-4.9	0	0	0	108.9	H158 S183 T184	H158-D181 HydrophobicContact CB-CB 4.39Å; D181-S183 PolarHBondContact O-N 3.22Å; D181-S183 PolarHBondContact OD1-N 2.74Å; D181-S183 WeakPolarHBondContact OD2-CB 3.03Å; D181-S183 PolarHBondContact OD2-OG 3.37Å; D181-T184 VanDerWaalsContact O-CB 3.23Å; D181-T184 WeakPolarHBondContact O-CB 3.06Å; D181-T184 PolarHBondContact O-N 3.39Å; D181-T184 PolarHBondContact O-OG1 2.79Å
182	G	81.9	Confident	91.9	Very high	7 Å²	7	46.3 Å²	46.3	7%	0.072	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.1	-25.3	169.7	0	0	0	0	0	112.7	T184	G182-T184 PolarHBondContact O-N 3.12Å
183	S	88.7	Confident	91.6	Very high	41 Å²	41	47.5 Å²	47.5	29%	0.287	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.5	175.4	79.6	0	0	0	0	112.8	D181 F185 T186	D181-S183 PolarHBondContact O-N 3.22Å; D181-S183 PolarHBondContact OD1-N 2.74Å; D181-S183 WeakPolarHBondContact OD2-CB 3.03Å; D181-S183 PolarHBondContact OD2-OG 3.37Å; S183-F185 PolarHBondContact O-N 2.83Å; S183-T186 WeakPolarHBondContact O-CB 3.26Å; S183-T186 PolarHBondContact O-N 3.2Å; S183-T186 PolarHBondContact O-OG1 3.5Å
184	T	91.7	Very high	91.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-49.4	-33.2	-176.7	-44.4	0	0	0	0	114.5	V156 H158 F161 D181 G182	V156-T184 HydrophobicContact CG1-CG2 3.9Å; H158-T184 WeakPolarHBondContact O-CA 3.45Å; F161-T184 HydrophobicContact CD2-CG2 3.9Å; F161-T184 HydrophobicContact CE2-CG2 3.84Å; D181-T184 VanDerWaalsContact O-CB 3.23Å; D181-T184 WeakPolarHBondContact O-CB 3.06Å; D181-T184 PolarHBondContact O-N 3.39Å; D181-T184 PolarHBondContact O-OG1 2.79Å; G182-T184 PolarHBondContact O-N 3.12Å
185	F	89.6	Confident	91.2	Very high	4 Å²	4	46 Å²	46	2%	0.018	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-106.8	2.2	-175.4	-54.9	-78.9	0	0	0	113.4	F161 I170 L180 S183 S187 L188 L191 F210 W213	F161-F185 HydrophobicContact CD2-CD1 4.5Å; F161-F185 HydrophobicContact CD2-CE1 4.43Å; F161-F185 HydrophobicContact CE2-CD1 4.43Å; F161-F185 AromaticContact CE2-CE1 3.92Å; F161-F185 HydrophobicContact CE2-CE1 3.92Å; I170-F185 HydrophobicContact CD1-CD1 4.43Å; I170-F185 HydrophobicContact CD1-CE1 4.32Å; L180-F185 HydrophobicContact CD1-CE2 4.11Å; L180-F185 HydrophobicContact CD1-CZ 4.13Å; S183-F185 PolarHBondContact O-N 2.83Å; F185-S187 VanDerWaalsContact C-N 3.33Å; F185-S187 PolarHBondContact O-N 3.08Å; F185-L188 HydrophobicContact CD1-CD1 4.22Å; F185-L188 PolarHBondContact O-N 3.04Å; F185-L188 VanDerWaalsContact O-N 3.13Å; F185-L191 HydrophobicContact CD1-CD2 4.19Å; F185-F210 HydrophobicContact CD2-CD2 4.33Å; F185-F210 HydrophobicContact CD2-CE2 4.4Å; F185-F210 AromaticContact CE2-CD2 3.9Å; F185-F210 HydrophobicContact CE2-CD2 3.9Å; F185-F210 AromaticContact CE2-CE2 3.82Å; F185-F210 HydrophobicContact CE2-CE2 3.82Å; F185-W213 HydrophobicContact CB-CD2 4.29Å; F185-W213 HydrophobicContact CB-CH2 3.95Å; F185-W213 HydrophobicContact CB-CZ2 3.39Å; F185-W213 HydrophobicContact CD1-CH2 4.36Å; F185-W213 HydrophobicContact CD2-CD2 4.29Å; F185-W213 HydrophobicContact CD2-CE3 4.07Å; F185-W213 HydrophobicContact CD2-CH2 4.04Å; F185-W213 HydrophobicContact CD2-CZ2 4.25Å; F185-W213 AromaticContact CD2-CZ3 3.94Å; F185-W213 HydrophobicContact CD2-CZ3 3.94Å; F185-W213 HydrophobicContact CE2-CZ3 4.39Å; F185-W213 AromaticContact CG-CH2 3.85Å; F185-W213 HydrophobicContact CG-CH2 3.85Å; F185-W213 AromaticContact CG-CZ2 3.84Å; F185-W213 HydrophobicContact CG-CZ2 3.84Å; F185-W213 HydrophobicContact CG-CZ3 4.24Å
186	T	85	Confident	90.9	Very high	108 Å²	108	45.7 Å²	45.7	66%	0.663	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.7	-173.2	56.7	0	0	0	0	114.5	S183 L188	S183-T186 WeakPolarHBondContact O-CB 3.26Å; S183-T186 PolarHBondContact O-N 3.2Å; S183-T186 PolarHBondContact O-OG1 3.5Å; T186-L188 VanDerWaalsContact C-N 3.28Å; T186-L188 PolarHBondContact O-N 2.95Å
187	S	86.6	Confident	90.6	Very high	35 Å²	35	42.1 Å²	42.1	25%	0.245	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	172.9	56.9	0	0	0	0	113.4	F161 F185 S189	F161-S187 PolarHBondContact O-OG 3.22Å; F185-S187 VanDerWaalsContact C-N 3.33Å; F185-S187 PolarHBondContact O-N 3.08Å; S187-S189 VanDerWaalsContact C-N 3.31Å; S187-S189 PolarHBondContact O-N 3.1Å
188	L	91.6	Very high	90.4	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	26%	0.258	C	S	.	.			trans	-90.5	63	-166.2	-55.9	-175.2	0	0	0	112.4	F161 C164 I167 I170 F185 T186 K190 L191	F161-L188 HydrophobicContact CB-CD1 3.93Å; F161-L188 HydrophobicContact CB-CD2 3.96Å; F161-L188 HydrophobicContact CB-CG 4.21Å; F161-L188 HydrophobicContact CD2-CD1 4.33Å; F161-L188 HydrophobicContact CG-CD1 4.16Å; C164-L188 WeakPolarHBondContact O-CD2 3.11Å; I167-L188 HydrophobicContact CB-CD2 4.37Å; I167-L188 HydrophobicContact CD1-CD2 4.47Å; I170-L188 HydrophobicContact CD1-CD1 3.56Å; F185-L188 HydrophobicContact CD1-CD1 4.22Å; F185-L188 PolarHBondContact O-N 3.04Å; F185-L188 VanDerWaalsContact O-N 3.13Å; T186-L188 VanDerWaalsContact C-N 3.28Å; T186-L188 PolarHBondContact O-N 2.95Å; L188-K190 PolarHBondContact O-N 3.14Å; L188-L191 HydrophobicContact CB-CB 3.94Å; L188-L191 HydrophobicContact CD1-CD2 4.39Å; L188-L191 WeakPolarHBondContact O-CB 3.47Å; L188-L191 PolarHBondContact O-N 3.27Å
189	S	89.5	Confident	90.4	Very high	112 Å²	112	42 Å²	42	78%	0.783	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.8	-179.7	62.5	0	0	0	0	115.6	S187	S187-S189 VanDerWaalsContact C-N 3.31Å; S187-S189 PolarHBondContact O-N 3.1Å
190	K	93.3	Very high	90.5	Very high	96 Å²	96	40.6 Å²	40.6	42%	0.417	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-2.2	177.2	-68.9	-166.9	179.2	176.5	0	115	N166 I167 E168 L188 T192	N166-K190 WeakPolarHBondContact OD1-CE 3.43Å; N166-K190 PolarHBondContact OD1-NZ 3.08Å; I167-K190 CarbonylContact O-C 3.53Å; E168-K190 HydrophobicContact CG-CB 4.34Å; L188-K190 PolarHBondContact O-N 3.14Å; K190-T192 WeakPolarHBondContact O-CG2 3.46Å; K190-T192 PolarHBondContact O-N 3.38Å
191	L	92.6	Very high	90.6	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.073	23%	0.234	C	C	.	.			trans	-63.1	108.4	-172.1	-170.4	68.5	0	0	0	110.7	I167 I170 F185 L188 T193 C194 W213 F217	I167-L191 HydrophobicContact CG2-CD1 4.1Å; I167-L191 WeakPolarHBondContact O-CA 3.19Å; I167-L191 PolarHBondContact O-N 3.09Å; I170-L191 HydrophobicContact CB-CD1 4.34Å; I170-L191 HydrophobicContact CD1-CD1 4.04Å; I170-L191 HydrophobicContact CG1-CD1 3.84Å; F185-L191 HydrophobicContact CD1-CD2 4.19Å; L188-L191 HydrophobicContact CB-CB 3.94Å; L188-L191 HydrophobicContact CD1-CD2 4.39Å; L188-L191 WeakPolarHBondContact O-CB 3.47Å; L188-L191 PolarHBondContact O-N 3.27Å; L191-T193 WeakPolarHBondContact CD1-O 3.5Å; L191-C194 HydrophobicContact CD2-CB 4.31Å; L191-W213 HydrophobicContact CD2-CH2 4.01Å; L191-W213 HydrophobicContact CD2-CZ2 3.99Å; L191-F217 HydrophobicContact CB-CE2 4.15Å; L191-F217 HydrophobicContact CD2-CE2 3.86Å; L191-F217 HydrophobicContact CD2-CZ 4.12Å; L191-F217 HydrophobicContact CG-CE2 3.9Å; L191-F217 HydrophobicContact CG-CZ 3.93Å; L191-F217 VanDerWaalsContact O-CE2 3.25Å; L191-F217 WeakPolarHBondContact O-CE2 3.36Å; L191-F217 WeakPolarHBondContact O-CZ 3.4Å
192	T	90.6	Very high	90.7	Very high	65 Å²	65	38.5 Å²	38.5	40%	0.399	23%	0.225	S	C	.	.			trans	-91.6	-30.7	176.7	78	0	0	0	0	111.8	E168 N169 K190 N219	E168-T192 HydrophobicContact CB-CG2 4.44Å; E168-T192 WeakPolarHBondContact O-CA 3.21Å; E168-T192 PolarHBondContact O-N 3.27Å; E168-T192 PolarHBondContact O-OG1 2.97Å; E168-T192 VanDerWaalsContact O-OG1 3.05Å; N169-T192 PolarHBondContact OD1-OG1 3.46Å; N169-T192 VanDerWaalsContact OD1-OG1 3.11Å; K190-T192 WeakPolarHBondContact O-CG2 3.46Å; K190-T192 PolarHBondContact O-N 3.38Å; T192-N219 WeakPolarHBondContact O-CB 3.18Å; T192-N219 PolarHBondContact O-ND2 3.35Å
193	T	89.9	Confident	91.3	Very high	24 Å²	24	38.4 Å²	38.4	15%	0.147	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	129.6	-169.8	-52.1	0	0	0	0	110.9	E168 N169 I170 L191 E195	E168-T193 PolarHBondContact O-N 3.34Å; N169-T193 WeakPolarHBondContact CA-O 3.16Å; N169-T193 WeakPolarHBondContact ND2-CB 3.07Å; N169-T193 PolarHBondContact ND2-OG1 3.12Å; I170-T193 PolarHBondContact N-O 3.22Å; L191-T193 WeakPolarHBondContact CD1-O 3.5Å; T193-E195 HydrophobicContact CG2-CG 4.29Å
194	C	90.4	Very high	91.5	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.1	175.1	-169.3	0	0	0	0	109.6	I170 L191 F217 T221	I170-C194 CarbonylContact O-C 3.6Å; I170-C194 WeakPolarHBondContact O-CA 3.02Å; L191-C194 HydrophobicContact CD2-CB 4.31Å; C194-F217 HydrophobicContact CB-CE1 4.13Å; C194-F217 HydrophobicContact CB-CZ 4.29Å; C194-T221 PolarHBondContact O-OG1 3.42Å; C194-T221 VanDerWaalsContact O-OG1 3.09Å
195	E	91.1	Very high	91.4	Very high	61 Å²	61	40.9 Å²	40.9	29%	0.285	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120	178.1	-55.2	-163.6	-171.4	0	0	110.5	I170 D171 L172 S173 T193 Y197 T221	I170-E195 PolarHBondContact O-N 3.48Å; D171-E195 HydrophobicContact CB-CB 4.27Å; L172-E195 CarbonylContact C-O 3.45Å; L172-E195 WeakPolarHBondContact CA-O 3.41Å; L172-E195 PolarHBondContact N-O 3.11Å; S173-E195 PolarHBondContact N-O 3.34Å; T193-E195 HydrophobicContact CG2-CG 4.29Å; E195-Y197 HydrophobicContact CB-CD1 4.37Å; E195-Y197 HydrophobicContact CB-CE1 4.26Å; E195-Y197 WeakPolarHBondContact OE2-CE1 3.17Å; E195-T221 HydrophobicContact CG-CG2 4.18Å
196	L	91.6	Very high	91.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.			trans	-135.2	8.6	-172.3	-83.8	169.2	0	0	0	113.3	L172 I177 L180 N199 F201 F210 M225	L172-L196 HydrophobicContact CB-CD2 3.6Å; L172-L196 HydrophobicContact CB-CG 4.48Å; L172-L196 HydrophobicContact CD1-CD2 4.13Å; I177-L196 HydrophobicContact CD1-CD2 4.26Å; L180-L196 HydrophobicContact CD1-CD1 3.85Å; L180-L196 HydrophobicContact CD1-CD2 3.9Å; L196-N199 PolarHBondContact O-ND2 2.88Å; L196-F201 HydrophobicContact CB-CZ 4.18Å; L196-F201 HydrophobicContact CD2-CZ 4.39Å; L196-F210 HydrophobicContact CD1-CE2 3.83Å; L196-F210 HydrophobicContact CD1-CZ 3.48Å; L196-F210 VanDerWaalsContact CD1-CZ 3.48Å; L196-M225 HydrophobicContact CB-CE 4.01Å; L196-M225 HydrophobicContact CB-SD 3.96Å
197	Y	90	Very high	91.8	Very high	58 Å²	58	41.7 Å²	41.7	23%	0.227	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	153.9	-177.1	64.9	-93.8	0	0	0	113	S173 M174 E195 N199 R224	S173-Y197 WeakPolarHBondContact CA-O 3.36Å; S173-Y197 WeakPolarHBondContact CB-O 3.36Å; S173-Y197 PolarHBondContact OG-OH 2.79Å; M174-Y197 HydrophobicContact CG-CE2 4.03Å; M174-Y197 PolarHBondContact N-O 2.82Å; E195-Y197 HydrophobicContact CB-CD1 4.37Å; E195-Y197 HydrophobicContact CB-CE1 4.26Å; E195-Y197 WeakPolarHBondContact OE2-CE1 3.17Å; Y197-N199 VanDerWaalsContact C-N 3.31Å; Y197-N199 PolarHBondContact O-N 2.68Å; Y197-R224 WeakPolarHBondContact CA-O 3.45Å; Y197-R224 WeakPolarHBondContact CB-O 3.49Å; Y197-R224 HydrophobicContact CG-CB 4.42Å
198	T	92	Very high	92.1	Very high	85 Å²	85	40.6 Å²	40.6	52%	0.521	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	42.9	-177.8	51.8	0	0	0	0	114	M174	M174-T198 WeakPolarHBondContact CA-OG1 3.46Å; M174-T198 VanDerWaalsContact CG-OG1 3.25Å; M174-T198 WeakPolarHBondContact CG-OG1 3.25Å; M174-T198 PolarHBondContact N-OG1 3.49Å
199	N	94.9	Very high	92	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.048	24%	0.241	C	C	.	.			trans	-105.8	143.2	161.4	-81.7	-76.6	0	0	0	109.5	L172 N175 R176 I177 L196 Y197 F201	L172-N199 PolarHBondContact O-ND2 2.76Å; N175-N199 VanDerWaalsContact CA-OD1 3.28Å; N175-N199 WeakPolarHBondContact CA-OD1 3.47Å; N175-N199 WeakPolarHBondContact CB-OD1 3.23Å; N175-N199 PolarHBondContact N-OD1 3.48Å; N175-N199 PolarHBondContact O-OD1 2.82Å; R176-N199 PolarHBondContact N-OD1 3.12Å; I177-N199 HydrophobicContact CB-CB 4.25Å; I177-N199 WeakPolarHBondContact CB-OD1 3.34Å; I177-N199 WeakPolarHBondContact CG1-OD1 3.49Å; I177-N199 PolarHBondContact N-OD1 3.36Å; L196-N199 PolarHBondContact O-ND2 2.88Å; Y197-N199 VanDerWaalsContact C-N 3.31Å; Y197-N199 PolarHBondContact O-N 2.68Å; N199-F201 VanDerWaalsContact C-N 3.29Å; N199-F201 HydrophobicContact CB-CD2 4.14Å; N199-F201 HydrophobicContact CB-CE1 4.33Å; N199-F201 HydrophobicContact CB-CE2 3.66Å; N199-F201 HydrophobicContact CB-CZ 3.76Å; N199-F201 WeakPolarHBondContact O-CD2 3.5Å; N199-F201 PolarHBondContact O-N 2.85Å
200	P	95.2	Very high	92.2	Very high	39 Å²	39	36.4 Å²	36.4	25%	0.253	20%	0.203	S	C	.	.			trans	-82.1	66.6	-175.9	35.3	-37.2	0	0	0	111.8	Q178 N202 D228	Q178-P200 HydrophobicContact CG-CG 4.29Å; P200-N202 PolarHBondContact O-N 2.89Å; P200-D228 HydrophobicContact CB-CB 3.99Å
201	F	94.7	Very high	92.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	129.5	-173	-70.2	-70.9	0	0	0	113	I177 Q178 L180 L196 N199 L207 F210 D228 S229 L238	I177-F201 HydrophobicContact CG2-CE1 4.35Å; Q178-F201 WeakPolarHBondContact O-CA 3.16Å; L180-F201 HydrophobicContact CD1-CE1 4.3Å; L196-F201 HydrophobicContact CB-CZ 4.18Å; L196-F201 HydrophobicContact CD2-CZ 4.39Å; N199-F201 VanDerWaalsContact C-N 3.29Å; N199-F201 HydrophobicContact CB-CD2 4.14Å; N199-F201 HydrophobicContact CB-CE1 4.33Å; N199-F201 HydrophobicContact CB-CE2 3.66Å; N199-F201 HydrophobicContact CB-CZ 3.76Å; N199-F201 WeakPolarHBondContact O-CD2 3.5Å; N199-F201 PolarHBondContact O-N 2.85Å; F201-L207 HydrophobicContact CB-CD2 4.23Å; F201-L207 HydrophobicContact CD1-CD1 4.16Å; F201-L207 HydrophobicContact CD1-CD2 4.47Å; F201-F210 HydrophobicContact CE1-CE1 4.4Å; F201-D228 PolarHBondContact O-N 3.4Å; F201-S229 PolarHBondContact O-N 3.5Å; F201-S229 VanDerWaalsContact O-N 3.16Å; F201-L238 HydrophobicContact CB-CD2 4.4Å; F201-L238 HydrophobicContact CD2-CD1 3.87Å; F201-L238 HydrophobicContact CE2-CD1 4Å; F201-L238 HydrophobicContact CG-CD1 4.13Å; F201-L238 HydrophobicContact CZ-CD1 4.39Å
202	N	94.8	Very high	91.9	Very high	37 Å²	37	35.5 Å²	35.5	20%	0.198	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	101.8	169.2	-179.8	19.1	0	0	0	108.9	Q178 Q179 P200 S204 S229	Q178-N202 HydrophobicContact CB-CB 4.17Å; Q178-N202 PolarHBondContact O-N 2.65Å; Q179-N202 HydrophobicContact CG-CB 4.37Å; P200-N202 PolarHBondContact O-N 2.89Å; N202-S204 PolarHBondContact O-N 2.81Å; N202-S229 WeakPolarHBondContact CA-O 3.41Å; N202-S229 VanDerWaalsContact CA-OG 3.3Å; N202-S229 WeakPolarHBondContact CA-OG 3.1Å; N202-S229 WeakPolarHBondContact CB-OG 3.42Å
203	C	93.5	Very high	91.9	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.027	19%	0.187	C	C	.	.			trans	-79.6	65	179.3	-66.6	0	0	0	0	110.8	L207 C227 S229 V233 L238 L255	C203-L207 HydrophobicContact CB-CD2 4.41Å; C203-C227 HydrophobicContact CB-CB 3.88Å; C203-C227 WeakPolarHBondContact CB-SG 3.29Å; C203-C227 WeakPolarHBondContact SG-CB 3.39Å; C203-C227 CovalentContact SG-SG 2.03Å; C203-C227 PolarHBondContact SG-SG 3.38Å; C203-S229 PolarHBondContact N-O 2.89Å; C203-V233 HydrophobicContact CB-CG2 4.13Å; C203-L238 VanDerWaalsContact SG-CD2 3.56Å; C203-L255 HydrophobicContact CB-CD1 4.47Å
204	S	92.1	Very high	91.8	Very high	27 Å²	27	33.4 Å²	33.4	19%	0.189	18%	0.181	C	C	.	.	S	Bend	trans	-88.7	172.1	163.3	68.3	0	0	0	0	110.9	Q179 N202 E206 L207 L255	Q179-S204 PolarHBondContact NE2-OG 2.73Å; Q179-S204 VanDerWaalsContact NE2-OG 3.07Å; N202-S204 PolarHBondContact O-N 2.81Å; S204-E206 WeakPolarHBondContact CB-OE2 3.44Å; S204-E206 PolarHBondContact O-N 3.11Å; S204-E206 VanDerWaalsContact O-N 3.17Å; S204-E206 PolarHBondContact OG-N 2.88Å; S204-E206 PolarHBondContact OG-OE2 3.32Å; S204-L207 WeakPolarHBondContact O-CB 3.32Å; S204-L207 PolarHBondContact O-N 3.42Å; S204-L207 VanDerWaalsContact O-N 3.08Å; S204-L255 VanDerWaalsContact O-CD2 3.31Å; S204-L255 WeakPolarHBondContact O-CD2 3.31Å
205	C	90.9	Very high	91.6	Very high	68 Å²	68	35 Å²	35	46%	0.459	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-59.3	-24.1	175.7	-62.8	0	0	0	0	113.7	L207 L208 C259	C205-L207 VanDerWaalsContact C-N 3.29Å; C205-L207 PolarHBondContact O-N 3.26Å; C205-L208 WeakPolarHBondContact O-CB 3.37Å; C205-L208 PolarHBondContact O-N 2.98Å; C205-L208 VanDerWaalsContact O-N 3.17Å; C205-C259 WeakPolarHBondContact CA-SG 3.5Å; C205-C259 HydrophobicContact CB-CB 3.66Å; C205-C259 WeakPolarHBondContact CB-SG 3.07Å; C205-C259 WeakPolarHBondContact SG-CB 3.37Å; C205-C259 CovalentContact SG-SG 2.03Å; C205-C259 PolarHBondContact SG-SG 2.92Å
206	E	90.9	Very high	91.5	Very high	129 Å²	129	37.1 Å²	37.1	60%	0.603	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-64	-35.9	176.1	-61	144.4	132.1	0	0	111.3	Q179 S204 L208	Q179-E206 PolarHBondContact NE2-OE2 2.96Å; S204-E206 WeakPolarHBondContact CB-OE2 3.44Å; S204-E206 PolarHBondContact O-N 3.11Å; S204-E206 VanDerWaalsContact O-N 3.17Å; S204-E206 PolarHBondContact OG-N 2.88Å; S204-E206 PolarHBondContact OG-OE2 3.32Å; E206-L208 PolarHBondContact O-N 3.43Å
207	L	92.7	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-70.4	-18	177.7	-160.3	74.6	0	0	0	112.5	F201 C203 S204 C205 G209 F210 V211 L238 L255	F201-L207 HydrophobicContact CB-CD2 4.23Å; F201-L207 HydrophobicContact CD1-CD1 4.16Å; F201-L207 HydrophobicContact CD1-CD2 4.47Å; C203-L207 HydrophobicContact CB-CD2 4.41Å; S204-L207 WeakPolarHBondContact O-CB 3.32Å; S204-L207 PolarHBondContact O-N 3.42Å; S204-L207 VanDerWaalsContact O-N 3.08Å; C205-L207 VanDerWaalsContact C-N 3.29Å; C205-L207 PolarHBondContact O-N 3.26Å; L207-G209 PolarHBondContact O-N 3.14Å; L207-F210 HydrophobicContact CD1-CD1 4Å; L207-F210 HydrophobicContact CG-CD1 4.28Å; L207-F210 PolarHBondContact O-N 3.16Å; L207-V211 HydrophobicContact CD2-CG2 3.99Å; L207-V211 HydrophobicContact CG-CG2 3.95Å; L207-V211 WeakPolarHBondContact O-CG2 3.15Å; L207-V211 PolarHBondContact O-N 3.36Å; L207-L238 HydrophobicContact CD2-CD2 4.11Å; L207-L255 HydrophobicContact CB-CD1 4.47Å
208	L	91.3	Very high	90.2	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-34.6	-175.9	179.8	58.2	0	0	0	112.7	C205 E206 V211 K212 L252 L255 C259 T260	C205-L208 WeakPolarHBondContact O-CB 3.37Å; C205-L208 PolarHBondContact O-N 2.98Å; C205-L208 VanDerWaalsContact O-N 3.17Å; E206-L208 PolarHBondContact O-N 3.43Å; L208-V211 PolarHBondContact O-N 3.06Å; L208-K212 HydrophobicContact CD1-CD 4.08Å; L208-K212 HydrophobicContact CD1-CG 3.97Å; L208-K212 HydrophobicContact CG-CD 3.99Å; L208-K212 HydrophobicContact CG-CG 4.34Å; L208-K212 VanDerWaalsContact O-CB 3.29Å; L208-K212 WeakPolarHBondContact O-CB 3.35Å; L208-K212 VanDerWaalsContact O-CG 3.3Å; L208-K212 WeakPolarHBondContact O-CG 3.39Å; L208-K212 PolarHBondContact O-N 2.87Å; L208-L252 HydrophobicContact CD1-CD1 4.39Å; L208-L255 HydrophobicContact CB-CB 4.28Å; L208-L255 HydrophobicContact CD1-CB 3.76Å; L208-L255 HydrophobicContact CG-CB 4.44Å; L208-C259 HydrophobicContact CD2-CB 3.92Å; L208-T260 HydrophobicContact CD2-CG2 4.42Å
209	G	90.9	Very high	89.1	Confident	33 Å²	33	40.7 Å²	40.7	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-46	175.2	0	0	0	0	0	112.1	L207 W213	L207-G209 PolarHBondContact O-N 3.14Å; G209-W213 PolarHBondContact O-N 2.89Å; G209-W213 VanDerWaalsContact O-N 3.08Å
210	F	92.4	Very high	87.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.5	-43.5	175.6	167.6	-102	0	0	0	112.9	L180 F185 L196 F201 L207 K212 W213 L214 L238	L180-F210 HydrophobicContact CB-CB 4.11Å; L180-F210 HydrophobicContact CB-CD1 4.36Å; L180-F210 HydrophobicContact CB-CD2 3.87Å; L180-F210 HydrophobicContact CB-CE2 4.47Å; L180-F210 HydrophobicContact CB-CG 3.83Å; L180-F210 HydrophobicContact CD1-CD2 4.07Å; L180-F210 HydrophobicContact CD1-CE1 4.4Å; L180-F210 HydrophobicContact CD1-CE2 3.81Å; L180-F210 HydrophobicContact CD1-CG 4.49Å; L180-F210 HydrophobicContact CD1-CZ 4.01Å; L180-F210 WeakPolarHBondContact O-CB 3.28Å; F185-F210 HydrophobicContact CD2-CD2 4.33Å; F185-F210 HydrophobicContact CD2-CE2 4.4Å; F185-F210 AromaticContact CE2-CD2 3.9Å; F185-F210 HydrophobicContact CE2-CD2 3.9Å; F185-F210 AromaticContact CE2-CE2 3.82Å; F185-F210 HydrophobicContact CE2-CE2 3.82Å; L196-F210 HydrophobicContact CD1-CE2 3.83Å; L196-F210 HydrophobicContact CD1-CZ 3.48Å; L196-F210 VanDerWaalsContact CD1-CZ 3.48Å; F201-F210 HydrophobicContact CE1-CE1 4.4Å; L207-F210 HydrophobicContact CD1-CD1 4Å; L207-F210 HydrophobicContact CG-CD1 4.28Å; L207-F210 PolarHBondContact O-N 3.16Å; F210-K212 VanDerWaalsContact C-N 3.31Å; F210-K212 PolarHBondContact O-N 3.19Å; F210-W213 AromaticContact CD2-CE3 3.96Å; F210-W213 HydrophobicContact CD2-CE3 3.96Å; F210-W213 HydrophobicContact CD2-CZ3 4.42Å; F210-W213 AromaticContact CE2-CE3 3.77Å; F210-W213 HydrophobicContact CE2-CE3 3.77Å; F210-W213 AromaticContact CE2-CZ3 3.81Å; F210-W213 HydrophobicContact CE2-CZ3 3.81Å; F210-W213 PolarHBondContact O-N 3Å; F210-L214 HydrophobicContact CE1-CD2 4.16Å; F210-L214 HydrophobicContact CE2-CD1 4.43Å; F210-L214 HydrophobicContact CZ-CB 4.34Å; F210-L214 HydrophobicContact CZ-CD1 4.05Å; F210-L214 HydrophobicContact CZ-CD2 4.07Å; F210-L214 HydrophobicContact CZ-CG 4.39Å; F210-L214 WeakPolarHBondContact O-CB 3.39Å; F210-L214 PolarHBondContact O-N 3.43Å; F210-L238 HydrophobicContact CE1-CD1 3.96Å
211	V	90.7	Very high	85.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.2	-35	178.7	-170.1	0	0	0	0	111.1	L207 L208 L214 S215 L238 L239 L252 L255	L207-V211 HydrophobicContact CD2-CG2 3.99Å; L207-V211 HydrophobicContact CG-CG2 3.95Å; L207-V211 WeakPolarHBondContact O-CG2 3.15Å; L207-V211 PolarHBondContact O-N 3.36Å; L208-V211 PolarHBondContact O-N 3.06Å; V211-L214 PolarHBondContact O-N 2.96Å; V211-S215 WeakPolarHBondContact O-CB 3.36Å; V211-S215 PolarHBondContact O-N 3.38Å; V211-L238 WeakPolarHBondContact CG1-O 3.29Å; V211-L239 HydrophobicContact CG1-CD2 4.05Å; V211-L252 HydrophobicContact CB-CD1 4.44Å; V211-L252 HydrophobicContact CG1-CB 3.72Å; V211-L252 HydrophobicContact CG1-CD1 3.94Å; V211-L252 HydrophobicContact CG1-CG 4.34Å; V211-L255 HydrophobicContact CG2-CD1 4.24Å
212	K	89.5	Confident	84.1	Confident	92 Å²	92	47.1 Å²	47.1	40%	0.4	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-46.7	170.6	-79.7	172.8	174.4	169.5	0	111.6	L208 F210 S215 T216 L252	L208-K212 HydrophobicContact CD1-CD 4.08Å; L208-K212 HydrophobicContact CD1-CG 3.97Å; L208-K212 HydrophobicContact CG-CD 3.99Å; L208-K212 HydrophobicContact CG-CG 4.34Å; L208-K212 VanDerWaalsContact O-CB 3.29Å; L208-K212 WeakPolarHBondContact O-CB 3.35Å; L208-K212 VanDerWaalsContact O-CG 3.3Å; L208-K212 WeakPolarHBondContact O-CG 3.39Å; L208-K212 PolarHBondContact O-N 2.87Å; F210-K212 VanDerWaalsContact C-N 3.31Å; F210-K212 PolarHBondContact O-N 3.19Å; K212-S215 WeakPolarHBondContact O-CB 3.35Å; K212-S215 PolarHBondContact O-N 2.88Å; K212-S215 PolarHBondContact O-OG 3.44Å; K212-T216 PolarHBondContact O-N 3.11Å; K212-L252 HydrophobicContact CG-CD1 4.18Å
213	W	90.4	Very high	82.4	Confident	41 Å²	41	52.4 Å²	52.4	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-46.3	174.2	172.8	89.6	0	0	0	112.5	F185 L191 G209 F210 S215 T216 F217	F185-W213 HydrophobicContact CB-CD2 4.29Å; F185-W213 HydrophobicContact CB-CH2 3.95Å; F185-W213 HydrophobicContact CB-CZ2 3.39Å; F185-W213 HydrophobicContact CD1-CH2 4.36Å; F185-W213 HydrophobicContact CD2-CD2 4.29Å; F185-W213 HydrophobicContact CD2-CE3 4.07Å; F185-W213 HydrophobicContact CD2-CH2 4.04Å; F185-W213 HydrophobicContact CD2-CZ2 4.25Å; F185-W213 AromaticContact CD2-CZ3 3.94Å; F185-W213 HydrophobicContact CD2-CZ3 3.94Å; F185-W213 HydrophobicContact CE2-CZ3 4.39Å; F185-W213 AromaticContact CG-CH2 3.85Å; F185-W213 HydrophobicContact CG-CH2 3.85Å; F185-W213 AromaticContact CG-CZ2 3.84Å; F185-W213 HydrophobicContact CG-CZ2 3.84Å; F185-W213 HydrophobicContact CG-CZ3 4.24Å; L191-W213 HydrophobicContact CD2-CH2 4.01Å; L191-W213 HydrophobicContact CD2-CZ2 3.99Å; G209-W213 PolarHBondContact O-N 2.89Å; G209-W213 VanDerWaalsContact O-N 3.08Å; F210-W213 AromaticContact CD2-CE3 3.96Å; F210-W213 HydrophobicContact CD2-CE3 3.96Å; F210-W213 HydrophobicContact CD2-CZ3 4.42Å; F210-W213 AromaticContact CE2-CE3 3.77Å; F210-W213 HydrophobicContact CE2-CE3 3.77Å; F210-W213 AromaticContact CE2-CZ3 3.81Å; F210-W213 HydrophobicContact CE2-CZ3 3.81Å; F210-W213 PolarHBondContact O-N 3Å; W213-S215 PolarHBondContact O-N 3.07Å; W213-T216 PolarHBondContact O-N 2.91Å; W213-T216 PolarHBondContact O-OG1 2.99Å; W213-F217 HydrophobicContact CH2-CB 4.48Å; W213-F217 AromaticContact CH2-CD2 3.79Å; W213-F217 HydrophobicContact CH2-CD2 3.79Å; W213-F217 HydrophobicContact CH2-CE2 4.17Å; W213-F217 HydrophobicContact CH2-CG 4.05Å; W213-F217 AromaticContact CZ2-CD2 3.58Å; W213-F217 HydrophobicContact CZ2-CD2 3.58Å; W213-F217 HydrophobicContact CZ2-CE2 4.05Å; W213-F217 HydrophobicContact CZ2-CG 4.21Å; W213-F217 PolarHBondContact O-N 3.31Å
214	L	88.9	Confident	81.5	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-29.9	177.4	-164.7	73.1	0	0	0	111.6	F210 V211 T216 R220 M225 L238 L239	F210-L214 HydrophobicContact CE1-CD2 4.16Å; F210-L214 HydrophobicContact CE2-CD1 4.43Å; F210-L214 HydrophobicContact CZ-CB 4.34Å; F210-L214 HydrophobicContact CZ-CD1 4.05Å; F210-L214 HydrophobicContact CZ-CD2 4.07Å; F210-L214 HydrophobicContact CZ-CG 4.39Å; F210-L214 WeakPolarHBondContact O-CB 3.39Å; F210-L214 PolarHBondContact O-N 3.43Å; V211-L214 PolarHBondContact O-N 2.96Å; L214-T216 VanDerWaalsContact C-N 3.28Å; L214-T216 PolarHBondContact O-N 2.94Å; L214-R220 PolarHBondContact O-NE 3.32Å; L214-M225 HydrophobicContact CD1-SD 4.34Å; L214-M225 HydrophobicContact CD2-SD 3.75Å; L214-L238 HydrophobicContact CD2-CB 4.38Å; L214-L238 HydrophobicContact CD2-CD1 4.38Å; L214-L239 HydrophobicContact CB-CD1 4.38Å; L214-L239 HydrophobicContact CD2-CD1 3.92Å; L214-L239 HydrophobicContact CD2-CG 4.14Å; L214-L239 HydrophobicContact CG-CD1 3.81Å; L214-L239 HydrophobicContact CG-CG 4.48Å
215	S	86	Confident	81.2	Confident	36 Å²	36	58.8 Å²	58.8	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-72.4	-13.8	176.3	84.6	0	0	0	0	114.8	V211 K212 W213 R220	V211-S215 WeakPolarHBondContact O-CB 3.36Å; V211-S215 PolarHBondContact O-N 3.38Å; K212-S215 WeakPolarHBondContact O-CB 3.35Å; K212-S215 PolarHBondContact O-N 2.88Å; K212-S215 PolarHBondContact O-OG 3.44Å; W213-S215 PolarHBondContact O-N 3.07Å; S215-R220 VanDerWaalsContact C-NH2 3.27Å; S215-R220 PolarHBondContact O-NH1 3.47Å; S215-R220 PolarHBondContact O-NH2 2.78Å
216	T	87.3	Confident	81.1	Confident	106 Å²	106	58.3 Å²	58.3	65%	0.65	30%	0.301	S	S	*	.	H	α-helix	trans	-105.5	-26.1	172.8	62.7	0	0	0	0	113.2	K212 W213 L214	K212-T216 PolarHBondContact O-N 3.11Å; W213-T216 PolarHBondContact O-N 2.91Å; W213-T216 PolarHBondContact O-OG1 2.99Å; L214-T216 VanDerWaalsContact C-N 3.28Å; L214-T216 PolarHBondContact O-N 2.94Å
217	F	86.1	Confident	81.2	Confident	15 Å²	15	52.3 Å²	52.3	7%	0.066	27%	0.273	C	S	.	.			trans	-51	134.7	178.4	-168.2	-110.5	0	0	0	112.6	L191 C194 W213 N219 R220	L191-F217 HydrophobicContact CB-CE2 4.15Å; L191-F217 HydrophobicContact CD2-CE2 3.86Å; L191-F217 HydrophobicContact CD2-CZ 4.12Å; L191-F217 HydrophobicContact CG-CE2 3.9Å; L191-F217 HydrophobicContact CG-CZ 3.93Å; L191-F217 VanDerWaalsContact O-CE2 3.25Å; L191-F217 WeakPolarHBondContact O-CE2 3.36Å; L191-F217 WeakPolarHBondContact O-CZ 3.4Å; C194-F217 HydrophobicContact CB-CE1 4.13Å; C194-F217 HydrophobicContact CB-CZ 4.29Å; W213-F217 HydrophobicContact CH2-CB 4.48Å; W213-F217 AromaticContact CH2-CD2 3.79Å; W213-F217 HydrophobicContact CH2-CD2 3.79Å; W213-F217 HydrophobicContact CH2-CE2 4.17Å; W213-F217 HydrophobicContact CH2-CG 4.05Å; W213-F217 AromaticContact CZ2-CD2 3.58Å; W213-F217 HydrophobicContact CZ2-CD2 3.58Å; W213-F217 HydrophobicContact CZ2-CE2 4.05Å; W213-F217 HydrophobicContact CZ2-CG 4.21Å; W213-F217 PolarHBondContact O-N 3.31Å; F217-N219 HydrophobicContact CE1-CB 4.49Å; F217-N219 WeakPolarHBondContact CE1-O 3.2Å; F217-R220 HydrophobicContact CD1-CG 4.46Å; F217-R220 VanDerWaalsContact O-CZ 3.26Å; F217-R220 PolarHBondContact O-NE 2.67Å; F217-R220 PolarHBondContact O-NH2 2.04Å
218	P	69.8	Low	81.3	Confident	116 Å²	116	57.2 Å²	57.2	75%	0.753	30%	0.299	S	S	*	.	S	Bend	trans	-82.1	-22.8	-165.8	29.4	-35.4	0	0	0	115.5
219	N	67.7	Low	81.3	Confident	86 Å²	86	58 Å²	58	46%	0.46	31%	0.306	S	S	.	.	S	Bend	trans	-129.7	87.2	-169.2	-178.2	30.4	0	0	0	111.2	T192 F217	T192-N219 WeakPolarHBondContact O-CB 3.18Å; T192-N219 PolarHBondContact O-ND2 3.35Å; F217-N219 HydrophobicContact CE1-CB 4.49Å; F217-N219 WeakPolarHBondContact CE1-O 3.2Å
220	R	64.1	Low	81.4	Confident	88 Å²	88	59.8 Å²	59.8	33%	0.332	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-104.2	128.6	-163.6	-53.9	172.7	-154.5	-172.7	-4.5	112.1	L214 S215 F217 N222	L214-R220 PolarHBondContact O-NE 3.32Å; S215-R220 VanDerWaalsContact C-NH2 3.27Å; S215-R220 PolarHBondContact O-NH1 3.47Å; S215-R220 PolarHBondContact O-NH2 2.78Å; F217-R220 HydrophobicContact CD1-CG 4.46Å; F217-R220 VanDerWaalsContact O-CZ 3.26Å; F217-R220 PolarHBondContact O-NE 2.67Å; F217-R220 PolarHBondContact O-NH2 2.04Å; R220-N222 HydrophobicContact CB-CB 4.44Å; R220-N222 WeakPolarHBondContact CB-OD1 3.25Å; R220-N222 WeakPolarHBondContact CD-OD1 3.47Å; R220-N222 PolarHBondContact O-N 3.47Å
221	T	59.1	Low	81.2	Confident	46 Å²	46	71.1 Å²	71.1	28%	0.282	35%	0.354	S	S	.	.			trans	-76.5	55.9	165.4	47.7	0	0	0	0	111.3	C194 E195 E223 M225	C194-T221 PolarHBondContact O-OG1 3.42Å; C194-T221 VanDerWaalsContact O-OG1 3.09Å; E195-T221 HydrophobicContact CG-CG2 4.18Å; T221-E223 PolarHBondContact O-N 2.95Å; T221-M225 WeakPolarHBondContact OG1-CE 3.48Å
222	N	57.3	Low	81	Confident	50 Å²	50	74.5 Å²	74.5	27%	0.267	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.3	-167.6	-90.3	-17.7	0	0	0	116	R220 R224	R220-N222 HydrophobicContact CB-CB 4.44Å; R220-N222 WeakPolarHBondContact CB-OD1 3.25Å; R220-N222 WeakPolarHBondContact CD-OD1 3.47Å; R220-N222 PolarHBondContact O-N 3.47Å; N222-R224 PolarHBondContact O-N 2.8Å
223	E	59.8	Low	80.9	Confident	147 Å²	147	71 Å²	71	69%	0.687	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.6	-164.3	-63.2	-170.2	165	0	0	115.1	T221	T221-E223 PolarHBondContact O-N 2.95Å
224	R	72.8	Confident	80.8	Confident	159 Å²	159	70.9 Å²	70.9	60%	0.6	38%	0.383	S	S	*	.	S	Bend	trans	-141.6	19.5	-164.7	-57	-175.7	-170.9	-171.9	2.3	115.6	Y197 N222	Y197-R224 WeakPolarHBondContact CA-O 3.45Å; Y197-R224 WeakPolarHBondContact CB-O 3.49Å; Y197-R224 HydrophobicContact CG-CB 4.42Å; N222-R224 PolarHBondContact O-N 2.8Å
225	M	86.8	Confident	80.8	Confident	7 Å²	7	73.1 Å²	73.1	3%	0.034	41%	0.407	C	S	.	.			trans	-102.8	112.8	174.2	-56.2	-168.7	-159.7	0	0	110.1	L196 L214 T221 L238	L196-M225 HydrophobicContact CB-CE 4.01Å; L196-M225 HydrophobicContact CB-SD 3.96Å; L214-M225 HydrophobicContact CD1-SD 4.34Å; L214-M225 HydrophobicContact CD2-SD 3.75Å; T221-M225 WeakPolarHBondContact OG1-CE 3.48Å; M225-L238 HydrophobicContact CB-CB 4.25Å; M225-L238 HydrophobicContact CB-CD1 3.98Å; M225-L238 HydrophobicContact CB-CG 4.02Å; M225-L238 PolarHBondContact O-N 3.45Å
226	V	89.6	Confident	80.9	Confident	58 Å²	58	74 Å²	74	35%	0.352	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-141	142.2	-165	-175.3	0	0	0	0	110.1	G235 Y236	V226-G235 VanDerWaalsContact CG1-CA 3.45Å; V226-Y236 CarbonylContact C-O 3.47Å; V226-Y236 WeakPolarHBondContact CA-O 3.4Å; V226-Y236 WeakPolarHBondContact CG1-O 3.44Å
227	C	92.3	Very high	80.9	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.02	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.7	170.5	-57	0	0	0	0	111	C203 V233 A234 G235 Y236 A251	C203-C227 HydrophobicContact CB-CB 3.88Å; C203-C227 WeakPolarHBondContact CB-SG 3.29Å; C203-C227 WeakPolarHBondContact SG-CB 3.39Å; C203-C227 CovalentContact SG-SG 2.03Å; C203-C227 PolarHBondContact SG-SG 3.38Å; C227-V233 VanDerWaalsContact CB-O 3.3Å; C227-V233 WeakPolarHBondContact CB-O 3.41Å; C227-A234 CarbonylContact O-C 3.58Å; C227-A234 WeakPolarHBondContact O-CA 3.3Å; C227-G235 PolarHBondContact O-N 3.23Å; C227-Y236 PolarHBondContact N-O 2.82Å; C227-A251 VanDerWaalsContact SG-CB 3.55Å
228	D	94.3	Very high	81	Confident	103 Å²	103	69.5 Å²	69.5	55%	0.551	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	-34.1	168.6	-175.2	72.4	0	0	0	111.3	P200 F201 A234	P200-D228 HydrophobicContact CB-CB 3.99Å; F201-D228 PolarHBondContact O-N 3.4Å; D228-A234 WeakPolarHBondContact O-CB 3.38Å
229	S	92.4	Very high	81.6	Confident	29 Å²	29	64.3 Å²	64.3	20%	0.203	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	160.6	179.3	51.1	0	0	0	0	112.1	F201 N202 C203	F201-S229 PolarHBondContact O-N 3.5Å; F201-S229 VanDerWaalsContact O-N 3.16Å; N202-S229 WeakPolarHBondContact CA-O 3.41Å; N202-S229 VanDerWaalsContact CA-OG 3.3Å; N202-S229 WeakPolarHBondContact CA-OG 3.1Å; N202-S229 WeakPolarHBondContact CB-OG 3.42Å; C203-S229 PolarHBondContact N-O 2.89Å
230	P	92.4	Very high	81.8	Confident	69 Å²	69	61.8 Å²	61.8	45%	0.448	34%	0.335	S	S	.	.	S	Bend	cis	-67.6	159.5	-13.3	29.8	-35.1	0	0	0	112.2	G232 V233 A234	P230-G232 PolarHBondContact O-N 2.59Å; P230-V233 HydrophobicContact CG-CG2 4.05Å; P230-V233 WeakPolarHBondContact O-CG2 3.47Å; P230-V233 PolarHBondContact O-N 2.84Å; P230-A234 PolarHBondContact O-N 3.24Å
231	R	87.8	Confident	81.5	Confident	239 Å²	239	63.1 Å²	63.1	90%	0.902	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-53.4	-28.7	-170.1	-70.4	-175.4	179.8	172.7	1.3	115.5	V233 A234	R231-V233 PolarHBondContact O-N 2.91Å; R231-A234 PolarHBondContact O-N 3.02Å
232	G	86.3	Confident	81.4	Confident	70 Å²	70	64.2 Å²	64.2	72%	0.722	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-66.4	-22.5	177.2	0	0	0	0	0	114.4	P230	P230-G232 PolarHBondContact O-N 2.59Å
233	V	87.3	Confident	81.2	Confident	18 Å²	18	67.4 Å²	67.4	11%	0.109	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-121.5	13.1	177.9	-58.7	0	0	0	0	113.1	C203 C227 P230 R231 G235 Y236 M254	C203-V233 HydrophobicContact CB-CG2 4.13Å; C227-V233 VanDerWaalsContact CB-O 3.3Å; C227-V233 WeakPolarHBondContact CB-O 3.41Å; P230-V233 HydrophobicContact CG-CG2 4.05Å; P230-V233 WeakPolarHBondContact O-CG2 3.47Å; P230-V233 PolarHBondContact O-N 2.84Å; R231-V233 PolarHBondContact O-N 2.91Å; V233-G235 PolarHBondContact O-N 3.14Å; V233-Y236 VanDerWaalsContact CA-CD1 3.5Å; V233-Y236 HydrophobicContact CB-CD1 3.89Å; V233-Y236 HydrophobicContact CB-CD2 4.3Å; V233-Y236 HydrophobicContact CB-CE1 4.21Å; V233-Y236 HydrophobicContact CB-CG 3.96Å; V233-Y236 HydrophobicContact CG1-CD1 4.46Å; V233-Y236 HydrophobicContact CG1-CD2 4.43Å; V233-Y236 HydrophobicContact CG1-CE1 4.33Å; V233-Y236 HydrophobicContact CG1-CE2 4.31Å; V233-Y236 VanDerWaalsContact O-CB 3.26Å; V233-Y236 WeakPolarHBondContact O-CB 3.44Å; V233-Y236 WeakPolarHBondContact O-CD1 3.24Å; V233-Y236 PolarHBondContact O-N 2.86Å; V233-Y236 VanDerWaalsContact O-N 3.08Å; V233-M254 HydrophobicContact CB-CE 4.47Å; V233-M254 HydrophobicContact CG1-CE 4.04Å; V233-M254 HydrophobicContact CG1-CG 4.34Å; V233-M254 HydrophobicContact CG2-CE 4.21Å
234	A	89.8	Confident	80.9	Confident	39 Å²	39	67.3 Å²	67.3	32%	0.322	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	134.6	169.2	0	0	0	0	0	110.4	C227 D228 P230 R231 Y236	C227-A234 CarbonylContact O-C 3.58Å; C227-A234 WeakPolarHBondContact O-CA 3.3Å; D228-A234 WeakPolarHBondContact O-CB 3.38Å; P230-A234 PolarHBondContact O-N 3.24Å; R231-A234 PolarHBondContact O-N 3.02Å; A234-Y236 VanDerWaalsContact C-N 3.35Å
235	G	87.3	Confident	79.9	Confident	52 Å²	52	62.4 Å²	62.4	54%	0.536	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	4.5	-174.9	0	0	0	0	0	115.4	V226 C227 V233	V226-G235 VanDerWaalsContact CG1-CA 3.45Å; C227-G235 PolarHBondContact O-N 3.23Å; V233-G235 PolarHBondContact O-N 3.14Å
236	Y	88	Confident	78.3	Confident	54 Å²	54	68 Å²	68	21%	0.212	40%	0.399	C	S	.	.			trans	-77.3	132.6	170.3	-78.2	49.2	0	0	0	109.5	V226 C227 V233 A234 R249	V226-Y236 CarbonylContact C-O 3.47Å; V226-Y236 WeakPolarHBondContact CA-O 3.4Å; V226-Y236 WeakPolarHBondContact CG1-O 3.44Å; C227-Y236 PolarHBondContact N-O 2.82Å; V233-Y236 VanDerWaalsContact CA-CD1 3.5Å; V233-Y236 HydrophobicContact CB-CD1 3.89Å; V233-Y236 HydrophobicContact CB-CD2 4.3Å; V233-Y236 HydrophobicContact CB-CE1 4.21Å; V233-Y236 HydrophobicContact CB-CG 3.96Å; V233-Y236 HydrophobicContact CG1-CD1 4.46Å; V233-Y236 HydrophobicContact CG1-CD2 4.43Å; V233-Y236 HydrophobicContact CG1-CE1 4.33Å; V233-Y236 HydrophobicContact CG1-CE2 4.31Å; V233-Y236 VanDerWaalsContact O-CB 3.26Å; V233-Y236 WeakPolarHBondContact O-CB 3.44Å; V233-Y236 WeakPolarHBondContact O-CD1 3.24Å; V233-Y236 PolarHBondContact O-N 2.86Å; V233-Y236 VanDerWaalsContact O-N 3.08Å; A234-Y236 VanDerWaalsContact C-N 3.35Å; Y236-R249 CarbonylContact C-O 3.54Å; Y236-R249 WeakPolarHBondContact CA-O 3.44Å; Y236-R249 HydrophobicContact CD1-CB 3.84Å; Y236-R249 HydrophobicContact CD1-CG 4.15Å; Y236-R249 HydrophobicContact CD2-CB 3.68Å; Y236-R249 HydrophobicContact CD2-CG 4.38Å; Y236-R249 HydrophobicContact CE1-CB 4.01Å; Y236-R249 HydrophobicContact CE1-CG 3.83Å; Y236-R249 HydrophobicContact CE2-CB 3.85Å; Y236-R249 HydrophobicContact CE2-CG 4.07Å; Y236-R249 HydrophobicContact CG-CB 3.66Å; Y236-R249 HydrophobicContact CG-CG 4.41Å
237	S	88.4	Confident	76.5	Confident	25 Å²	25	70.4 Å²	70.4	18%	0.175	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-70.9	142.3	173.7	-175.5	0	0	0	0	109.8	L239 R249 A251	S237-L239 VanDerWaalsContact CB-O 3.3Å; S237-L239 WeakPolarHBondContact CB-O 3.32Å; S237-L239 PolarHBondContact O-N 3.11Å; S237-L239 PolarHBondContact OG-O 3.05Å; S237-R249 PolarHBondContact N-O 2.61Å; S237-A251 WeakPolarHBondContact O-CB 3.39Å; S237-A251 PolarHBondContact O-N 3.43Å
238	L	87.9	Confident	74.8	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.005	44%	0.438	C	S	.	.	S	Bend	trans	-61.8	-33.9	177.1	-64.8	-166	0	0	0	111.9	F201 C203 L207 F210 V211 L214 M225 N250 A251 L252	F201-L238 HydrophobicContact CB-CD2 4.4Å; F201-L238 HydrophobicContact CD2-CD1 3.87Å; F201-L238 HydrophobicContact CE2-CD1 4Å; F201-L238 HydrophobicContact CG-CD1 4.13Å; F201-L238 HydrophobicContact CZ-CD1 4.39Å; C203-L238 VanDerWaalsContact SG-CD2 3.56Å; L207-L238 HydrophobicContact CD2-CD2 4.11Å; F210-L238 HydrophobicContact CE1-CD1 3.96Å; V211-L238 WeakPolarHBondContact CG1-O 3.29Å; L214-L238 HydrophobicContact CD2-CB 4.38Å; L214-L238 HydrophobicContact CD2-CD1 4.38Å; M225-L238 HydrophobicContact CB-CB 4.25Å; M225-L238 HydrophobicContact CB-CD1 3.98Å; M225-L238 HydrophobicContact CB-CG 4.02Å; M225-L238 PolarHBondContact O-N 3.45Å; L238-N250 PolarHBondContact O-OD1 3.02Å; L238-A251 HydrophobicContact CD2-CB 4.22Å; L238-L252 PolarHBondContact O-N 3.42Å
239	L	82.1	Confident	73.6	Confident	8 Å²	8	79.1 Å²	79.1	4%	0.042	44%	0.44	C	S	.	.	S	Bend	trans	-131.7	149.8	176	-62.6	177.5	0	0	0	110.9	V211 L214 S237 L252	V211-L239 HydrophobicContact CG1-CD2 4.05Å; L214-L239 HydrophobicContact CB-CD1 4.38Å; L214-L239 HydrophobicContact CD2-CD1 3.92Å; L214-L239 HydrophobicContact CD2-CG 4.14Å; L214-L239 HydrophobicContact CG-CD1 3.81Å; L214-L239 HydrophobicContact CG-CG 4.48Å; S237-L239 VanDerWaalsContact CB-O 3.3Å; S237-L239 WeakPolarHBondContact CB-O 3.32Å; S237-L239 PolarHBondContact O-N 3.11Å; S237-L239 PolarHBondContact OG-O 3.05Å; L239-L252 HydrophobicContact CD2-CB 4.37Å; L239-L252 HydrophobicContact CD2-CD2 3.96Å
240	S	71.3	Confident	73	Confident	32 Å²	32	79.3 Å²	79.3	22%	0.224	44%	0.439	C	S	.	.			trans	-74	137.8	171.3	-171.3	0	0	0	0	111.5	N242 N250	S240-N242 VanDerWaalsContact C-N 3.26Å; S240-N242 PolarHBondContact OG-N 3.36Å; S240-N242 VanDerWaalsContact OG-N 3.14Å; S240-N242 PolarHBondContact OG-O 3.01Å; S240-N250 PolarHBondContact N-OD1 2.74Å
241	Q	59.6	Low	72.8	Confident	116 Å²	116	76 Å²	76	54%	0.542	42%	0.417	S	S	.	.	S	Bend	trans	-76.7	-13.5	170.1	-65.6	173.9	-0.9	0	0	112.7
242	N	56.2	Low	72.8	Confident	69 Å²	69	66.3 Å²	66.3	37%	0.369	38%	0.383	S	S	.	.			trans	-144	115.6	176.8	-173.6	-15.7	0	0	0	110.2	S240 N244	S240-N242 VanDerWaalsContact C-N 3.26Å; S240-N242 PolarHBondContact OG-N 3.36Å; S240-N242 VanDerWaalsContact OG-N 3.14Å; S240-N242 PolarHBondContact OG-O 3.01Å; N242-N244 PolarHBondContact O-N 3.09Å; N242-N244 WeakPolarHBondContact OD1-CB 3.47Å; N242-N244 PolarHBondContact OD1-N 3.39Å
243	P	52.8	Low	72.8	Confident	118 Å²	118	68.9 Å²	68.9	77%	0.766	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.1	179	28.9	-34.8	0	0	0	113
244	N	53.8	Low	72.7	Confident	144 Å²	144	70.1 Å²	70.1	77%	0.77	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2	-173	-62.4	-8.8	0	0	0	113.6	N242	N242-N244 PolarHBondContact O-N 3.09Å; N242-N244 WeakPolarHBondContact OD1-CB 3.47Å; N242-N244 PolarHBondContact OD1-N 3.39Å
245	N	51.9	Low	72.7	Confident	56 Å²	56	68.4 Å²	68.4	30%	0.299	37%	0.366	S	S	.	.			trans	-125.4	99.1	174.5	-171.2	2.9	0	0	0	112.1	T247 Y248	N245-T247 PolarHBondContact ND2-OG1 3.41Å; N245-T247 PolarHBondContact O-N 2.68Å; N245-T247 VanDerWaalsContact O-N 3.16Å; N245-T247 WeakPolarHBondContact OD1-CG2 3.49Å; N245-T247 PolarHBondContact OD1-N 2.82Å; N245-T247 PolarHBondContact OD1-OG1 2.84Å; N245-Y248 HydrophobicContact CB-CD2 4.23Å; N245-Y248 PolarHBondContact O-N 3.03Å
246	P	52.6	Low	72.7	Confident	124 Å²	124	68.2 Å²	68.2	81%	0.805	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-3.2	-176.5	30.8	-36	0	0	0	114.3	Y248	P246-Y248 PolarHBondContact O-N 3.32Å
247	T	51.2	Low	72.5	Confident	110 Å²	110	69.2 Å²	69.2	68%	0.675	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.1	175.3	68.5	0	0	0	0	113.5	N245	N245-T247 PolarHBondContact ND2-OG1 3.41Å; N245-T247 PolarHBondContact O-N 2.68Å; N245-T247 VanDerWaalsContact O-N 3.16Å; N245-T247 WeakPolarHBondContact OD1-CG2 3.49Å; N245-T247 PolarHBondContact OD1-N 2.82Å; N245-T247 PolarHBondContact OD1-OG1 2.84Å
248	Y	57.8	Low	72.4	Confident	133 Å²	133	71.2 Å²	71.2	52%	0.522	38%	0.378	S	S	.	.	S	Bend	trans	-80.3	122	177.2	-81.2	-88.6	0	0	0	111.8	N245 P246 N250	N245-Y248 HydrophobicContact CB-CD2 4.23Å; N245-Y248 PolarHBondContact O-N 3.03Å; P246-Y248 PolarHBondContact O-N 3.32Å; Y248-N250 PolarHBondContact O-N 2.9Å
249	R	67.9	Low	72.3	Confident	156 Å²	156	72.9 Å²	72.9	59%	0.589	39%	0.389	S	S	*	.			trans	-59.4	90.7	176.6	-71.8	177.7	174.1	-159.8	-0	111.4	Y236 S237	Y236-R249 CarbonylContact C-O 3.54Å; Y236-R249 WeakPolarHBondContact CA-O 3.44Å; Y236-R249 HydrophobicContact CD1-CB 3.84Å; Y236-R249 HydrophobicContact CD1-CG 4.15Å; Y236-R249 HydrophobicContact CD2-CB 3.68Å; Y236-R249 HydrophobicContact CD2-CG 4.38Å; Y236-R249 HydrophobicContact CE1-CB 4.01Å; Y236-R249 HydrophobicContact CE1-CG 3.83Å; Y236-R249 HydrophobicContact CE2-CB 3.85Å; Y236-R249 HydrophobicContact CE2-CG 4.07Å; Y236-R249 HydrophobicContact CG-CB 3.66Å; Y236-R249 HydrophobicContact CG-CG 4.41Å; S237-R249 PolarHBondContact N-O 2.61Å
250	N	81.2	Confident	71.7	Confident	33 Å²	33	76.1 Å²	76.1	18%	0.176	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-108.5	116.1	-173	179.7	12.4	0	0	0	111.1	L238 S240 Y248 L252 H253 M254	L238-N250 PolarHBondContact O-OD1 3.02Å; S240-N250 PolarHBondContact N-OD1 2.74Å; Y248-N250 PolarHBondContact O-N 2.9Å; N250-L252 VanDerWaalsContact C-N 3.32Å; N250-L252 PolarHBondContact O-N 2.92Å; N250-L252 WeakPolarHBondContact OD1-CB 3.36Å; N250-L252 PolarHBondContact OD1-N 3.02Å; N250-H253 PolarHBondContact O-N 3.37Å; N250-M254 PolarHBondContact O-N 3Å
251	A	87.4	Confident	70.7	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-63.3	-35.8	-179.9	0	0	0	0	0	112.4	C227 S237 L238 H253 M254 L255	C227-A251 VanDerWaalsContact SG-CB 3.55Å; S237-A251 WeakPolarHBondContact O-CB 3.39Å; S237-A251 PolarHBondContact O-N 3.43Å; L238-A251 HydrophobicContact CD2-CB 4.22Å; A251-H253 VanDerWaalsContact C-N 3.33Å; A251-H253 PolarHBondContact O-N 3.36Å; A251-M254 PolarHBondContact O-N 2.84Å; A251-L255 WeakPolarHBondContact O-CB 3.39Å; A251-L255 WeakPolarHBondContact O-CG 3.43Å; A251-L255 PolarHBondContact O-N 3.5Å
252	L	88.3	Confident	70.2	Confident	34 Å²	34	82.8 Å²	82.8	18%	0.178	45%	0.446	C	S	.	.	H	α-helix	trans	-57.6	-44.4	178.5	178.1	61.1	0	0	0	112.2	L208 V211 K212 L238 L239 N250 T256	L208-L252 HydrophobicContact CD1-CD1 4.39Å; V211-L252 HydrophobicContact CB-CD1 4.44Å; V211-L252 HydrophobicContact CG1-CB 3.72Å; V211-L252 HydrophobicContact CG1-CD1 3.94Å; V211-L252 HydrophobicContact CG1-CG 4.34Å; K212-L252 HydrophobicContact CG-CD1 4.18Å; L238-L252 PolarHBondContact O-N 3.42Å; L239-L252 HydrophobicContact CD2-CB 4.37Å; L239-L252 HydrophobicContact CD2-CD2 3.96Å; N250-L252 VanDerWaalsContact C-N 3.32Å; N250-L252 PolarHBondContact O-N 2.92Å; N250-L252 WeakPolarHBondContact OD1-CB 3.36Å; N250-L252 PolarHBondContact OD1-N 3.02Å; L252-T256 VanDerWaalsContact O-CB 3.27Å; L252-T256 WeakPolarHBondContact O-CB 3.09Å; L252-T256 PolarHBondContact O-N 3.46Å; L252-T256 PolarHBondContact O-OG1 3.36Å
253	H	84.9	Confident	69.4	Low	125 Å²	125	89 Å²	89	58%	0.579	47%	0.466	S	S	*	.	H	α-helix	trans	-69	-46.2	178.4	-172.8	-47.1	0	0	0	110.7	N250 A251 T256 T257	N250-H253 PolarHBondContact O-N 3.37Å; A251-H253 VanDerWaalsContact C-N 3.33Å; A251-H253 PolarHBondContact O-N 3.36Å; H253-T256 PolarHBondContact O-N 3.47Å; H253-T257 PolarHBondContact CE1-OG1 2.91Å; H253-T257 PolarHBondContact ND1-OG1 3.11Å; H253-T257 PolarHBondContact O-N 3.31Å; H253-T257 PolarHBondContact O-OG1 3.4Å; H253-T257 VanDerWaalsContact O-OG1 3.09Å
254	M	86.9	Confident	69	Low	44 Å²	44	90 Å²	90	22%	0.217	47%	0.47	C	S	.	.	H	α-helix	trans	-58.5	-53.1	179.5	-174.2	-73.2	-66	0	0	111.1	V233 N250 A251 T256 T257 V258	V233-M254 HydrophobicContact CB-CE 4.47Å; V233-M254 HydrophobicContact CG1-CE 4.04Å; V233-M254 HydrophobicContact CG1-CG 4.34Å; V233-M254 HydrophobicContact CG2-CE 4.21Å; N250-M254 PolarHBondContact O-N 3Å; A251-M254 PolarHBondContact O-N 2.84Å; M254-T256 VanDerWaalsContact C-N 3.32Å; M254-T256 PolarHBondContact O-N 3.2Å; M254-T257 PolarHBondContact O-N 2.99Å; M254-V258 WeakPolarHBondContact O-CB 3.12Å; M254-V258 WeakPolarHBondContact O-CG2 3.23Å; M254-V258 PolarHBondContact O-N 3.3Å; M254-V258 HydrophobicContact SD-CB 4.29Å; M254-V258 HydrophobicContact SD-CG2 3.89Å
255	L	88.8	Confident	68.2	Low	3 Å²	3	87.5 Å²	87.5	2%	0.016	46%	0.46	C	S	.	.	H	α-helix	trans	-64.8	-34.3	179.2	-68.8	174.8	0	0	0	112.5	C203 S204 L207 L208 V211 A251 C259	C203-L255 HydrophobicContact CB-CD1 4.47Å; S204-L255 VanDerWaalsContact O-CD2 3.31Å; S204-L255 WeakPolarHBondContact O-CD2 3.31Å; L207-L255 HydrophobicContact CB-CD1 4.47Å; L208-L255 HydrophobicContact CB-CB 4.28Å; L208-L255 HydrophobicContact CD1-CB 3.76Å; L208-L255 HydrophobicContact CG-CB 4.44Å; V211-L255 HydrophobicContact CG2-CD1 4.24Å; A251-L255 WeakPolarHBondContact O-CB 3.39Å; A251-L255 WeakPolarHBondContact O-CG 3.43Å; A251-L255 PolarHBondContact O-N 3.5Å; L255-C259 WeakPolarHBondContact O-CB 3.47Å; L255-C259 PolarHBondContact O-N 2.98Å; L255-C259 PolarHBondContact O-SG 2.79Å
256	T	86.8	Confident	67.6	Low	47 Å²	47	90.1 Å²	90.1	29%	0.288	48%	0.479	S	S	.	.	H	α-helix	trans	-64.9	-52.9	174	-57.6	0	0	0	0	110	L252 H253 M254 V258 C259 T260	L252-T256 VanDerWaalsContact O-CB 3.27Å; L252-T256 WeakPolarHBondContact O-CB 3.09Å; L252-T256 PolarHBondContact O-N 3.46Å; L252-T256 PolarHBondContact O-OG1 3.36Å; H253-T256 PolarHBondContact O-N 3.47Å; M254-T256 VanDerWaalsContact C-N 3.32Å; M254-T256 PolarHBondContact O-N 3.2Å; T256-V258 PolarHBondContact O-N 2.71Å; T256-C259 PolarHBondContact O-N 2.96Å; T256-T260 HydrophobicContact CG2-CG2 4.17Å; T256-T260 WeakPolarHBondContact O-CG2 3.32Å; T256-T260 PolarHBondContact O-N 2.77Å; T256-T260 PolarHBondContact O-OG1 2.95Å
257	T	84.8	Confident	66.9	Low	76 Å²	76	92.1 Å²	92.1	47%	0.466	48%	0.476	S	S	.	.	H	α-helix	trans	-60.8	-41.5	179.9	-53.5	0	0	0	0	113.1	H253 M254	H253-T257 PolarHBondContact CE1-OG1 2.91Å; H253-T257 PolarHBondContact ND1-OG1 3.11Å; H253-T257 PolarHBondContact O-N 3.31Å; H253-T257 PolarHBondContact O-OG1 3.4Å; H253-T257 VanDerWaalsContact O-OG1 3.09Å; M254-T257 PolarHBondContact O-N 2.99Å
258	V	85.4	Confident	66.2	Low	66 Å²	66	93.1 Å²	93.1	40%	0.4	48%	0.475	S	S	.	.	H	α-helix	trans	-80.3	-23.8	-175	174.6	0	0	0	0	113.1	M254 T256	M254-V258 WeakPolarHBondContact O-CB 3.12Å; M254-V258 WeakPolarHBondContact O-CG2 3.23Å; M254-V258 PolarHBondContact O-N 3.3Å; M254-V258 HydrophobicContact SD-CB 4.29Å; M254-V258 HydrophobicContact SD-CG2 3.89Å; T256-V258 PolarHBondContact O-N 2.71Å
259	C	85.7	Confident	65	Low	36 Å²	36	92.7 Å²	92.7	24%	0.243	49%	0.487	C	S	.	.	H	α-helix	trans	-119.1	11.6	-170.7	-45.7	0	0	0	0	114.6	C205 L208 L255 T256	C205-C259 WeakPolarHBondContact CA-SG 3.5Å; C205-C259 HydrophobicContact CB-CB 3.66Å; C205-C259 WeakPolarHBondContact CB-SG 3.07Å; C205-C259 WeakPolarHBondContact SG-CB 3.37Å; C205-C259 CovalentContact SG-SG 2.03Å; C205-C259 PolarHBondContact SG-SG 2.92Å; L208-C259 HydrophobicContact CD2-CB 3.92Å; L255-C259 WeakPolarHBondContact O-CB 3.47Å; L255-C259 PolarHBondContact O-N 2.98Å; L255-C259 PolarHBondContact O-SG 2.79Å; T256-C259 PolarHBondContact O-N 2.96Å
260	T	69.6	Low	63.2	Low	76 Å²	76	91.4 Å²	91.4	47%	0.466	50%	0.496	S	S	.	.	S	Bend	trans	-117	6.8	172.6	67.9	0	0	0	0	114.9	L208 T256	L208-T260 HydrophobicContact CD2-CG2 4.42Å; T256-T260 HydrophobicContact CG2-CG2 4.17Å; T256-T260 WeakPolarHBondContact O-CG2 3.32Å; T256-T260 PolarHBondContact O-N 2.77Å; T256-T260 PolarHBondContact O-OG1 2.95Å
261	D	51.9	Low	60.6	Low	117 Å²	117	94.2 Å²	94.2	63%	0.626	52%	0.519	S	S	*	.	S	Bend	trans	-88.6	125	165.7	-74.9	-17.9	0	0	0	109	Y263	D261-Y263 PolarHBondContact O-N 2.97Å
262	D	47.5	Very low	57.9	Low	172 Å²	172	103.1 Å²	103.1	92%	0.92	56%	0.562	S	S	*	*	S	Bend	trans	-67.1	6.9	176.6	-78.4	-49.6	0	0	0	113.9
263	Y	40.8	Very low	55.1	Low	200 Å²	200	110.1 Å²	110.1	78%	0.784	59%	0.594	S	S	*	*	S	Bend	trans	-103.7	109.4	168.3	-75.7	-83.4	0	0	0	110.1	D261 T265	D261-Y263 PolarHBondContact O-N 2.97Å; Y263-T265 VanDerWaalsContact C-N 3.28Å; Y263-T265 PolarHBondContact O-N 3.45Å
264	V	43.7	Very low	52.4	Low	139 Å²	139	109.5 Å²	109.5	84%	0.842	60%	0.604	S	S	*	*			trans	-62.2	91.8	165.4	-179.5	0	0	0	0	108.8	P266	V264-P266 WeakPolarHBondContact O-CD 3.28Å
265	T	36	Very low	49.7	Very low	91 Å²	91	113.4 Å²	113.4	56%	0.558	63%	0.63	S	S	*	*			trans	-79.8	105.8	161.1	50.4	0	0	0	0	108.1	Y263 F267	Y263-T265 VanDerWaalsContact C-N 3.28Å; Y263-T265 PolarHBondContact O-N 3.45Å; T265-F267 PolarHBondContact O-N 3.25Å
266	P	39.7	Very low	47.1	Very low	110 Å²	110	119.6 Å²	119.6	71%	0.714	67%	0.669	S	S	*	*			trans	-66.6	111.7	175.5	28.4	-33.5	0	0	0	108.1	V264 I268	V264-P266 WeakPolarHBondContact O-CD 3.28Å; P266-I268 PolarHBondContact O-N 3.43Å
267	F	38.5	Very low	44.7	Very low	166 Å²	166	124.9 Å²	124.9	73%	0.728	69%	0.693	S	S	*	*			trans	-71.6	80.3	174.7	-101.2	-80.1	0	0	0	110.6	T265	T265-F267 PolarHBondContact O-N 3.25Å
268	I	36.4	Very low	42.2	Very low	131 Å²	131	126.7 Å²	126.7	67%	0.672	71%	0.706	S	S	*	*			trans	24.8	96.8	157.1	-50.4	179	0	0	0	113.8	P266 V270	P266-I268 PolarHBondContact O-N 3.43Å; I268-V270 VanDerWaalsContact C-N 3.34Å; I268-V270 HydrophobicContact CG2-CG2 3.85Å; I268-V270 PolarHBondContact O-N 2.9Å
269	T	32.2	Very low	40.2	Very low	125 Å²	125	129.5 Å²	129.5	77%	0.767	73%	0.726	S	S	*	*			trans	-59.1	98.1	154.4	46.8	0	0	0	0	109	S271	T269-S271 PolarHBondContact O-N 2.93Å
270	V	29.8	Very low	37.5	Very low	129 Å²	129	135.3 Å²	135.3	78%	0.782	76%	0.755	S	S	*	*			trans	-74.6	72.5	164.3	-174.6	0	0	0	0	107.8	I268 M272	I268-V270 VanDerWaalsContact C-N 3.34Å; I268-V270 HydrophobicContact CG2-CG2 3.85Å; I268-V270 PolarHBondContact O-N 2.9Å; V270-M272 PolarHBondContact O-N 3.12Å
271	S	27.4	Very low	35.7	Very low	92 Å²	92	136.9 Å²	136.9	64%	0.643	77%	0.768	S	S	*	*			trans	-69.9	105.9	168.7	-64.6	0	0	0	0	108.1	T269 E273	T269-S271 PolarHBondContact O-N 2.93Å; S271-E273 PolarHBondContact O-N 3.15Å
272	M	30.3	Very low	35	Very low	187 Å²	187	137.2 Å²	137.2	92%	0.921	78%	0.775	S	S	*	*			trans	-76.6	97.2	161.2	-115.1	-175.2	168.1	0	0	107.9	V270 S274	V270-M272 PolarHBondContact O-N 3.12Å; M272-S274 PolarHBondContact O-N 3.33Å
273	E	29.1	Very low	34.2	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	77%	0.769	S	S	*	*			trans	-63.3	126.2	166.1	-69.7	-173.7	114.6	0	0	109.5	S271	S271-E273 PolarHBondContact O-N 3.15Å
274	S	29.6	Very low	33.7	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	77%	0.771	S	S	*	*			trans	-118.3	96.2	164.8	-178.9	0	0	0	0	107.9	M272 T276	M272-S274 PolarHBondContact O-N 3.33Å; S274-T276 PolarHBondContact O-N 2.75Å
275	T	30.5	Very low	33.1	Very low	125 Å²	125	129.3 Å²	129.3	77%	0.767	77%	0.766	S	S	*	*			trans	-56.8	124.8	-177.4	50.7	0	0	0	0	112.4
276	T	32.5	Very low	33	Very low	134 Å²	134	132.7 Å²	132.7	82%	0.822	78%	0.78	S	S	*	*			trans	-149.7	132.3	155.3	6.7	0	0	0	0	110.5	S274	S274-T276 PolarHBondContact O-N 2.75Å
277	I	37.2	Very low	32.8	Very low	158 Å²	158	135.3 Å²	135.3	81%	0.81	78%	0.783	S	S	*	*			trans	-113.9	134.2	-175.8	-62.2	164.6	0	0	0	109.1
278	P	33.1	Very low	32.6	Very low	114 Å²	114	134.8 Å²	134.8	74%	0.74	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-93	141	157.1	34.4	-28.3	0	0	0	111.1
279	P	42	Very low	32.3	Very low	124 Å²	124	134.6 Å²	134.6	81%	0.805	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-89.2	171.2	-171.2	36	-37.6	0	0	0	115.6
280	D	30.1	Very low	32.4	Very low	159 Å²	159	135 Å²	135	85%	0.85	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.5	156.9	-175	-57	-85.9	0	0	0	117.5
281	S	32.2	Very low	32.6	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	81%	0.809	S	S	*	*			trans	-156.3	101.2	134.6	67	0	0	0	0	113.7
282	T	35.5	Very low	32.9	Very low	125 Å²	125	133.4 Å²	133.4	77%	0.767	81%	0.809	S	S	*	*				15.5	146.8	127.4	49.9	0	0	0	0	120.1
283	L	31.8	Very low	32.9	Very low	152 Å²	152	131.4 Å²	131.4	80%	0.796	81%	0.807	S	S	*	*			cis	-173.8	172.1	-2.2	-174.9	67.2	0	0	0	108.7
284	C	29.5	Very low	33.2	Very low	121 Å²	121	131.5 Å²	131.5	82%	0.818	81%	0.807	S	S	*	*			trans	79.5	142.2	167.3	-62.1	0	0	0	0	117.4
285	G	30.7	Very low	34	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	80%	0.803	S	S	*	*			cis	-163.4	-176.5	1.2	0	0	0	0	0	114.4
286	L	35.7	Very low	33.9	Very low	162 Å²	162	133 Å²	133	85%	0.848	81%	0.808	S	S	*	*			trans	-50.8	157.4	175.2	-96	61.2	0	0	0	112.2
287	E	33.5	Very low	33.7	Very low	165 Å²	165	133.1 Å²	133.1	77%	0.771	80%	0.804	S	S	*	*				-163.3	172.4	55.5	-144.4	146.9	-128.8	0	0	114.2
288	D	35.1	Very low	33.2	Very low	155 Å²	155	132.1 Å²	132.1	83%	0.829	81%	0.805	S	S	*	*			trans	62.8	129.3	166.7	-74	-11.7	0	0	0	123.4
289	C	30.5	Very low	33	Very low	126 Å²	126	132.7 Å²	132.7	85%	0.851	81%	0.807	S	S	*	*			trans	-104	160.6	175.3	-58.2	0	0	0	0	111.8
290	S	33.6	Very low	32.4	Very low	133 Å²	133	134.7 Å²	134.7	93%	0.93	81%	0.809	S	S	*	*			trans	-159	158.6	139.6	-86.7	0	0	0	0	111.1
291	S	35.4	Very low	32.2	Very low	127 Å²	127	129.8 Å²	129.8	89%	0.888	80%	0.795	S	S	*	*			trans	-139.2	151.5	-163	-176.3	0	0	0	0	112.8
292	G	32.1	Very low	31.8	Very low	62 Å²	62	131 Å²	131	64%	0.639	80%	0.798	S	S	*	*			trans	85	153.6	175	0	0	0	0	0	114.9
293	T	31	Very low	31.5	Very low	145 Å²	145	131.2 Å²	131.2	89%	0.89	80%	0.8	S	S	*	*			cis	-161.6	146.6	-4.8	3.9	0	0	0	0	109.9
294	E	35.2	Very low	31.3	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	81%	0.805	S	S	*	*			trans	-80.6	173	158.8	-69.1	-173.7	160.6	0	0	110
295	P	46.6	Very low	31.6	Very low	107 Å²	107	134.8 Å²	134.8	70%	0.695	81%	0.805	S	S	*	*			cis	-131.8	-175.4	6.3	44.2	-28.6	0	0	0	114.3
296	D	28	Very low	31.6	Very low	161 Å²	161	138.2 Å²	138.2	86%	0.861	80%	0.802	S	S	*	*				-169	153.2	109.5	-120.2	-15.1	0	0	0	112.7
297	D	29.3	Very low	31.6	Very low	137 Å²	137	136.8 Å²	136.8	73%	0.733	80%	0.8	S	S	*	*			trans	-100.2	149.2	-173.5	-133.5	-29.5	0	0	0	112.1
298	T	26.1	Very low	32.1	Very low	136 Å²	136	135.5 Å²	135.5	83%	0.834	79%	0.794	S	S	*	*			trans	-155.4	101.8	162.8	-51.7	0	0	0	0	112.9
299	T	29.8	Very low	33.2	Very low	127 Å²	127	129.6 Å²	129.6	78%	0.779	77%	0.77	S	S	*	*			trans	-99.2	99.8	179.9	53.8	0	0	0	0	114.1
300	I	28.2	Very low	34.8	Very low	166 Å²	166	127.9 Å²	127.9	85%	0.851	76%	0.755	S	S	*	*			trans	-149	140.2	152.5	-51.3	-179.5	0	0	0	106.1
301	G	25.9	Very low	36.6	Very low	55 Å²	55	121.5 Å²	121.5	57%	0.567	71%	0.711	S	S	*	*			cis	144.9	123.2	-1.1	0	0	0	0	0	110.7
302	T	24.3	Very low	38.5	Very low	134 Å²	134	120.8 Å²	120.8	82%	0.822	70%	0.695	S	S	*	*			trans	62.3	125.8	174.5	43.3	0	0	0	0	120.2
303	T	29.1	Very low	40.9	Very low	130 Å²	130	118.6 Å²	118.6	80%	0.798	67%	0.668	S	S	*	*			trans	51.3	111.4	143.3	59.7	0	0	0	0	120.6
304	E	28.1	Very low	43.2	Very low	193 Å²	193	115.6 Å²	115.6	90%	0.902	65%	0.647	S	S	*	*				-154.7	149.5	114.9	-123.1	173.1	-153.4	0	0	111.7	E306	E304-E306 PolarHBondContact O-N 3.45Å
305	N	35.6	Very low	45.4	Very low	154 Å²	154	109.9 Å²	109.9	82%	0.824	62%	0.622	S	S	*	*			trans	-83.4	94.4	174.4	-76.4	-29.7	0	0	0	109.2	V307	N305-V307 PolarHBondContact O-N 3.35Å
306	E	30.3	Very low	47.1	Very low	144 Å²	144	110.7 Å²	110.7	67%	0.673	61%	0.614	S	S	*	*			trans	-66	90.9	160.2	-91.6	-146.6	134.2	0	0	108.7	E304 Q308 K334	E304-E306 PolarHBondContact O-N 3.45Å; E306-Q308 VanDerWaalsContact C-N 3.31Å; E306-Q308 PolarHBondContact O-N 2.71Å; E306-K334 IonicContact OE1-NZ 2.6Å; E306-K334 PolarHBondContact OE1-NZ 2.73Å; E306-K334 IonicContact OE2-NZ 3.93Å
307	V	35.7	Very low	49.4	Very low	132 Å²	132	105 Å²	105	80%	0.8	59%	0.59	S	S	*	*			trans	-60.6	96.9	167.8	176.9	0	0	0	0	107.2	N305 G309	N305-V307 PolarHBondContact O-N 3.35Å; V307-G309 PolarHBondContact O-N 2.95Å
308	Q	43.6	Very low	51.8	Low	138 Å²	138	99.1 Å²	99.1	65%	0.645	56%	0.559	S	S	*	*			trans	-74.4	81.3	-175.4	-167.9	162.6	123	0	0	109.7	E306 T310	E306-Q308 VanDerWaalsContact C-N 3.31Å; E306-Q308 PolarHBondContact O-N 2.71Å; Q308-T310 PolarHBondContact O-N 2.97Å
309	G	57.8	Low	54.4	Low	32 Å²	32	96.1 Å²	96.1	33%	0.33	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-54.2	123.4	-176.5	0	0	0	0	0	111.7	V307 P330	V307-G309 PolarHBondContact O-N 2.95Å; G309-P330 VanDerWaalsContact O-CG 3.24Å; G309-P330 WeakPolarHBondContact O-CG 3.32Å
310	T	64.1	Low	56.7	Low	89 Å²	89	93.8 Å²	93.8	55%	0.546	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-77.8	141.6	173.7	49.3	0	0	0	0	110.5	Q308 M312	Q308-T310 PolarHBondContact O-N 2.97Å; T310-M312 PolarHBondContact O-N 2.75Å
311	P	73.1	Confident	59	Low	0 Å²	0	89.6 Å²	89.6	0%	0	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-63.8	125.7	173.7	27.6	-33.6	0	0	0	110.6	Q328 F329 V375 H386 T387	P311-Q328 CarbonylContact C-O 3.6Å; P311-Q328 WeakPolarHBondContact CA-O 3.12Å; P311-F329 HydrophobicContact CB-CD1 3.7Å; P311-F329 HydrophobicContact CB-CE1 3.83Å; P311-V375 HydrophobicContact CB-CG1 4.28Å; P311-V375 HydrophobicContact CG-CB 4.04Å; P311-V375 HydrophobicContact CG-CG1 3.85Å; P311-V375 HydrophobicContact CG-CG2 4.33Å; P311-H386 HydrophobicContact CG-CB 3.76Å; P311-T387 WeakPolarHBondContact O-CB 3.28Å; P311-T387 WeakPolarHBondContact O-CG2 3.33Å; P311-T387 PolarHBondContact O-OG1 3.27Å
312	M	74.1	Confident	61.8	Low	112 Å²	112	88.6 Å²	88.6	55%	0.552	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	141.8	176.1	-65	-169	73.8	0	0	110.6	T310 V327 Q328	T310-M312 PolarHBondContact O-N 2.75Å; M312-V327 WeakPolarHBondContact O-CA 3.41Å; M312-Q328 PolarHBondContact N-O 2.77Å; M312-Q328 PolarHBondContact O-N 2.93Å
313	M	82.1	Confident	64.7	Low	16 Å²	16	82.2 Å²	82.2	8%	0.079	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.4	-180	176.5	174.4	-85.2	0	0	109.6	V325 T326 V327 L339 V373 V375 T387 L389	M313-V325 HydrophobicContact CE-CG1 3.99Å; M313-V325 HydrophobicContact CG-CG1 3.46Å; M313-V325 VanDerWaalsContact CG-CG1 3.46Å; M313-V325 HydrophobicContact SD-CG1 3.93Å; M313-T326 WeakPolarHBondContact CA-O 3.25Å; M313-V327 HydrophobicContact CE-CG2 3.58Å; M313-L339 HydrophobicContact CE-CD1 3.27Å; M313-V373 HydrophobicContact CE-CG1 4.3Å; M313-V375 HydrophobicContact CE-CG2 3.36Å; M313-V375 HydrophobicContact SD-CG2 4.5Å; M313-T387 HydrophobicContact CB-CG2 4.08Å; M313-L389 HydrophobicContact CG-CB 3.93Å; M313-L389 HydrophobicContact CG-CD2 3.9Å; M313-L389 HydrophobicContact SD-CB 3.45Å; M313-L389 WeakPolarHBondContact SD-CB 3.34Å; M313-L389 HydrophobicContact SD-CD2 4.18Å; M313-L389 HydrophobicContact SD-CG 4.47Å
314	N	79.6	Confident	67.3	Low	82 Å²	82	77.9 Å²	77.9	44%	0.439	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.3	-178.2	-67.4	-54.8	0	0	0	111.4	V325 T326	N314-V325 WeakPolarHBondContact O-CA 3.46Å; N314-T326 PolarHBondContact N-O 3.16Å; N314-T326 PolarHBondContact O-N 3.35Å
315	L	82.1	Confident	70.2	Confident	62 Å²	62	68.7 Å²	68.7	33%	0.325	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.6	176.2	-166.1	62.1	0	0	0	109.7	V318 V325 L389 F391	L315-V318 HydrophobicContact CD1-CG2 3.59Å; L315-V318 HydrophobicContact CD2-CG2 3.68Å; L315-V318 HydrophobicContact CG-CG2 3.84Å; L315-V325 HydrophobicContact CD1-CG2 4.06Å; L315-L389 HydrophobicContact CB-CD2 4.03Å; L315-L389 HydrophobicContact CD1-CD2 4.06Å; L315-F391 HydrophobicContact CD1-CB 4.17Å; L315-F391 HydrophobicContact CD1-CD1 3.95Å; L315-F391 HydrophobicContact CD1-CG 4.09Å; L315-F391 HydrophobicContact CD2-CB 3.8Å
316	K	81.3	Confident	72.5	Confident	125 Å²	125	62.2 Å²	62.2	54%	0.543	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-47.6	-176.8	-164.7	179.6	-172.8	177.2	0	112.2	T324 T326 D359	K316-T324 WeakPolarHBondContact CB-O 3.42Å; K316-T324 PolarHBondContact N-O 3.31Å; K316-T326 HydrophobicContact CB-CG2 3.97Å; K316-T326 HydrophobicContact CD-CG2 3.92Å; K316-T326 HydrophobicContact CG-CG2 4.23Å; K316-D359 WeakPolarHBondContact CD-OD2 3.21Å; K316-D359 IonicContact NZ-OD2 2.87Å; K316-D359 PolarHBondContact NZ-OD2 3.48Å
317	A	76.6	Confident	75	Confident	42 Å²	42	55.4 Å²	55.4	35%	0.347	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	148.3	172.3	0	0	0	0	0	110.9	A323 T324	A317-A323 WeakPolarHBondContact O-CA 3.48Å; A317-T324 PolarHBondContact N-O 2.76Å; A317-T324 PolarHBondContact N-OG1 3.48Å; A317-T324 VanDerWaalsContact N-OG1 3.15Å; A317-T324 PolarHBondContact O-N 3.34Å; A317-T324 PolarHBondContact O-OG1 3.04Å
318	V	81.1	Confident	77.2	Confident	13 Å²	13	53.2 Å²	53.2	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.3	170.3	176.7	0	0	0	0	109.6	L315 A323 F391 T393	L315-V318 HydrophobicContact CD1-CG2 3.59Å; L315-V318 HydrophobicContact CD2-CG2 3.68Å; L315-V318 HydrophobicContact CG-CG2 3.84Å; V318-A323 HydrophobicContact CG2-CB 4.05Å; V318-F391 HydrophobicContact CG2-CB 4.32Å; V318-F391 HydrophobicContact CG2-CD2 4.11Å; V318-F391 HydrophobicContact CG2-CG 4.31Å; V318-T393 HydrophobicContact CG1-CG2 4.28Å
319	T	79.9	Confident	78.8	Confident	72 Å²	72	47 Å²	47	44%	0.442	27%	0.265	S	S	.	.			trans	-118.9	177.3	167.5	68.9	0	0	0	0	109.1	T321 V322	T319-T321 PolarHBondContact O-N 2.96Å; T319-T321 VanDerWaalsContact O-N 3.12Å; T319-V322 PolarHBondContact N-O 2.74Å; T319-V322 PolarHBondContact OG1-N 3.24Å; T319-V322 PolarHBondContact OG1-O 3.28Å
320	N	77.8	Confident	79.3	Confident	79 Å²	79	48 Å²	48	42%	0.422	27%	0.266	S	S	.	.	S	Bend	trans	-62.8	-18.1	179.7	-65.5	-9.4	0	0	0	114.2	P367	N320-P367 HydrophobicContact CB-CB 4.4Å; N320-P367 WeakPolarHBondContact O-CA 3.42Å
321	T	77.4	Confident	79.1	Confident	77 Å²	77	50.3 Å²	50.3	47%	0.472	28%	0.275	S	S	.	.	S	Bend	trans	-136.3	-12.8	-173.1	54	0	0	0	0	115.4	T319 N364 L365	T319-T321 PolarHBondContact O-N 2.96Å; T319-T321 VanDerWaalsContact O-N 3.12Å; T321-N364 PolarHBondContact O-N 2.97Å; T321-L365 WeakPolarHBondContact CA-O 3.04Å; T321-L365 WeakPolarHBondContact O-CB 3.06Å; T321-L365 PolarHBondContact O-N 2.97Å
322	V	83.3	Confident	78.2	Confident	35 Å²	35	54.6 Å²	54.6	21%	0.212	30%	0.303	C	S	.	.			trans	-138.4	136.6	-179.2	-176.8	0	0	0	0	110.4	T319 E361 I362 K363	T319-V322 PolarHBondContact N-O 2.74Å; T319-V322 PolarHBondContact OG1-N 3.24Å; T319-V322 PolarHBondContact OG1-O 3.28Å; V322-E361 HydrophobicContact CG1-CG 3.61Å; V322-I362 VanDerWaalsContact CA-O 3.31Å; V322-I362 WeakPolarHBondContact CA-O 3.15Å; V322-K363 HydrophobicContact CG1-CG 4.33Å; V322-K363 HydrophobicContact CG2-CG 4.29Å
323	A	85.2	Confident	77.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.5	171.5	0	0	0	0	0	110.6	A317 V318 I362 L365 F391	A317-A323 WeakPolarHBondContact O-CA 3.48Å; V318-A323 HydrophobicContact CG2-CB 4.05Å; A323-I362 PolarHBondContact N-O 3.26Å; A323-I362 PolarHBondContact O-N 2.84Å; A323-L365 HydrophobicContact CB-CD1 3.66Å; A323-F391 HydrophobicContact CB-CD2 4.16Å; A323-F391 HydrophobicContact CB-CE1 4.29Å; A323-F391 HydrophobicContact CB-CE2 3.52Å; A323-F391 HydrophobicContact CB-CZ 3.6Å
324	T	85.1	Confident	76.6	Confident	38 Å²	38	58.4 Å²	58.4	23%	0.233	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.9	174.7	47	0	0	0	0	109.9	K316 A317 V360 E361	K316-T324 WeakPolarHBondContact CB-O 3.42Å; K316-T324 PolarHBondContact N-O 3.31Å; A317-T324 PolarHBondContact N-O 2.76Å; A317-T324 PolarHBondContact N-OG1 3.48Å; A317-T324 VanDerWaalsContact N-OG1 3.15Å; A317-T324 PolarHBondContact O-N 3.34Å; A317-T324 PolarHBondContact O-OG1 3.04Å; T324-V360 WeakPolarHBondContact CA-O 3.26Å; T324-E361 HydrophobicContact CG2-CB 4.23Å; T324-E361 HydrophobicContact CG2-CG 3.92Å
325	V	87.6	Confident	76	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.3	-174.5	179.1	0	0	0	0	108.5	M313 N314 L315 V327 V360 I362 L389 F391	M313-V325 HydrophobicContact CE-CG1 3.99Å; M313-V325 HydrophobicContact CG-CG1 3.46Å; M313-V325 VanDerWaalsContact CG-CG1 3.46Å; M313-V325 HydrophobicContact SD-CG1 3.93Å; N314-V325 WeakPolarHBondContact O-CA 3.46Å; L315-V325 HydrophobicContact CD1-CG2 4.06Å; V325-V327 HydrophobicContact CG1-CG2 4.38Å; V325-V360 PolarHBondContact N-O 2.81Å; V325-V360 PolarHBondContact O-N 3.06Å; V325-I362 HydrophobicContact CG2-CD1 3.98Å; V325-L389 HydrophobicContact CG1-CD2 3.94Å; V325-L389 HydrophobicContact CG2-CD2 4.09Å; V325-F391 HydrophobicContact CG2-CE1 4.38Å
326	T	84.6	Confident	75.5	Confident	19 Å²	19	58.4 Å²	58.4	12%	0.117	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.5	173	76.3	0	0	0	0	108.9	M313 N314 K316 E358 D359	M313-T326 WeakPolarHBondContact CA-O 3.25Å; N314-T326 PolarHBondContact N-O 3.16Å; N314-T326 PolarHBondContact O-N 3.35Å; K316-T326 HydrophobicContact CB-CG2 3.97Å; K316-T326 HydrophobicContact CD-CG2 3.92Å; K316-T326 HydrophobicContact CG-CG2 4.23Å; T326-E358 WeakPolarHBondContact CA-O 3.49Å; T326-D359 WeakPolarHBondContact CB-OD1 3.37Å; T326-D359 WeakPolarHBondContact CG2-OD1 3.46Å
327	V	83.9	Confident	75.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.2	172.6	-169.6	0	0	0	0	108.5	M312 M313 V325 F329 L339 L353 Q357 E358 V375	M312-V327 WeakPolarHBondContact O-CA 3.41Å; M313-V327 HydrophobicContact CE-CG2 3.58Å; V325-V327 HydrophobicContact CG1-CG2 4.38Å; V327-F329 HydrophobicContact CG1-CE1 4.18Å; V327-F329 HydrophobicContact CG1-CE2 3.95Å; V327-F329 HydrophobicContact CG1-CZ 3.68Å; V327-L339 HydrophobicContact CG2-CD1 4.3Å; V327-L353 HydrophobicContact CB-CD1 4.33Å; V327-L353 HydrophobicContact CG1-CD1 4.09Å; V327-L353 HydrophobicContact CG2-CD1 4.24Å; V327-Q357 CarbonylContact O-C 3.33Å; V327-Q357 VanDerWaalsContact O-CA 3.31Å; V327-Q357 WeakPolarHBondContact O-CA 3.45Å; V327-E358 PolarHBondContact N-O 2.74Å; V327-E358 PolarHBondContact O-N 2.87Å; V327-V375 HydrophobicContact CG1-CG2 3.81Å
328	Q	80.5	Confident	75.8	Confident	86 Å²	86	52.1 Å²	52.1	40%	0.402	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	-179.7	-175.7	179.8	1.1	0	0	109.8	P311 M312 V356 Q357	P311-Q328 CarbonylContact C-O 3.6Å; P311-Q328 WeakPolarHBondContact CA-O 3.12Å; M312-Q328 PolarHBondContact N-O 2.77Å; M312-Q328 PolarHBondContact O-N 2.93Å; Q328-V356 CarbonylContact C-O 3.56Å; Q328-V356 WeakPolarHBondContact CA-O 3.4Å; Q328-Q357 HydrophobicContact CB-CG 4.4Å; Q328-Q357 HydrophobicContact CG-CB 4.5Å
329	F	78.5	Confident	76	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.031	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-103.3	143.4	-178.1	-59.8	-84	0	0	0	111.4	P311 V327 F333 Y337 L353 K355 V356 V375	P311-F329 HydrophobicContact CB-CD1 3.7Å; P311-F329 HydrophobicContact CB-CE1 3.83Å; V327-F329 HydrophobicContact CG1-CE1 4.18Å; V327-F329 HydrophobicContact CG1-CE2 3.95Å; V327-F329 HydrophobicContact CG1-CZ 3.68Å; F329-F333 HydrophobicContact CB-CD2 3.77Å; F329-F333 HydrophobicContact CB-CE2 4.12Å; F329-F333 HydrophobicContact CD1-CD2 4.15Å; F329-F333 AromaticContact CD1-CE2 3.75Å; F329-F333 HydrophobicContact CD1-CE2 3.75Å; F329-F333 HydrophobicContact CD2-CD2 4.22Å; F329-F333 AromaticContact CD2-CE2 3.77Å; F329-F333 HydrophobicContact CD2-CE2 3.77Å; F329-F333 HydrophobicContact CE1-CE2 4.09Å; F329-F333 HydrophobicContact CE2-CE2 4.08Å; F329-F333 AromaticContact CG-CD2 3.78Å; F329-F333 HydrophobicContact CG-CD2 3.78Å; F329-F333 AromaticContact CG-CE2 3.58Å; F329-F333 HydrophobicContact CG-CE2 3.58Å; F329-F333 HydrophobicContact CZ-CE2 4.22Å; F329-Y337 AromaticContact CD1-CD2 3.57Å; F329-Y337 HydrophobicContact CD1-CD2 3.57Å; F329-Y337 AromaticContact CD1-CE2 3.64Å; F329-Y337 HydrophobicContact CD1-CE2 3.64Å; F329-Y337 HydrophobicContact CD1-CG 4.27Å; F329-Y337 HydrophobicContact CE1-CD1 4.29Å; F329-Y337 AromaticContact CE1-CD2 3.22Å; F329-Y337 HydrophobicContact CE1-CD2 3.22Å; F329-Y337 AromaticContact CE1-CE2 3.76Å; F329-Y337 HydrophobicContact CE1-CE2 3.76Å; F329-Y337 AromaticContact CE1-CG 3.51Å; F329-Y337 HydrophobicContact CE1-CG 3.51Å; F329-Y337 HydrophobicContact CZ-CD2 4.08Å; F329-Y337 HydrophobicContact CZ-CG 4.25Å; F329-L353 HydrophobicContact CE2-CB 3.94Å; F329-L353 HydrophobicContact CE2-CD1 4.43Å; F329-L353 HydrophobicContact CZ-CB 3.66Å; F329-L353 HydrophobicContact CZ-CD1 3.71Å; F329-L353 HydrophobicContact CZ-CG 4.31Å; F329-K355 WeakPolarHBondContact CD2-O 3.41Å; F329-K355 WeakPolarHBondContact CE2-O 3.46Å; F329-V356 PolarHBondContact N-O 2.66Å; F329-V375 HydrophobicContact CE1-CG1 4.16Å
330	P	67.8	Low	76.2	Confident	53 Å²	53	48 Å²	48	34%	0.344	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-71.9	142.6	166.4	28.2	-28.9	0	0	0	110.6	G309	G309-P330 VanDerWaalsContact O-CG 3.24Å; G309-P330 WeakPolarHBondContact O-CG 3.32Å
331	D	59.1	Low	76.5	Confident	139 Å²	139	45.4 Å²	45.4	74%	0.743	24%	0.238	S	C	*	.	S	Bend	trans	-89.5	134.7	174.6	-165	43.3	0	0	0	108.9
332	P	55	Low	76.6	Confident	90 Å²	90	44.8 Å²	44.8	58%	0.584	23%	0.228	S	C	*	.	S	Bend	cis	-79.7	136	4.6	31.8	-36.2	0	0	0	115.3	K334	P332-K334 HydrophobicContact CB-CG 4.39Å; P332-K334 HydrophobicContact CG-CD 4.44Å; P332-K334 HydrophobicContact CG-CG 4.22Å; P332-K334 PolarHBondContact O-N 3.32Å
333	F	61.5	Low	76.3	Confident	69 Å²	69	47.8 Å²	47.8	30%	0.303	24%	0.243	S	C	.	.			trans	-71.3	80.5	176	-171.3	-96.7	0	0	0	112.5	F329 K335 Y337	F329-F333 HydrophobicContact CB-CD2 3.77Å; F329-F333 HydrophobicContact CB-CE2 4.12Å; F329-F333 HydrophobicContact CD1-CD2 4.15Å; F329-F333 AromaticContact CD1-CE2 3.75Å; F329-F333 HydrophobicContact CD1-CE2 3.75Å; F329-F333 HydrophobicContact CD2-CD2 4.22Å; F329-F333 AromaticContact CD2-CE2 3.77Å; F329-F333 HydrophobicContact CD2-CE2 3.77Å; F329-F333 HydrophobicContact CE1-CE2 4.09Å; F329-F333 HydrophobicContact CE2-CE2 4.08Å; F329-F333 AromaticContact CG-CD2 3.78Å; F329-F333 HydrophobicContact CG-CD2 3.78Å; F329-F333 AromaticContact CG-CE2 3.58Å; F329-F333 HydrophobicContact CG-CE2 3.58Å; F329-F333 HydrophobicContact CZ-CE2 4.22Å; F333-K335 VanDerWaalsContact CE1-O 3.25Å; F333-K335 WeakPolarHBondContact CE1-O 3.34Å; F333-K335 VanDerWaalsContact CZ-O 3.27Å; F333-K335 WeakPolarHBondContact CZ-O 3.44Å; F333-Y337 HydrophobicContact CD2-CE2 4.49Å; F333-Y337 AromaticContact CE2-CD2 3.73Å; F333-Y337 HydrophobicContact CE2-CD2 3.73Å; F333-Y337 HydrophobicContact CE2-CE2 4.1Å; F333-Y337 HydrophobicContact CZ-CD2 4Å
334	K	60.2	Low	74.9	Confident	139 Å²	139	54.8 Å²	54.8	60%	0.604	28%	0.28	S	S	*	.			trans	-84.3	-2.6	-175.7	-67.1	-178.7	-179.7	-178.3	0	116.1	E306 P332	E306-K334 IonicContact OE1-NZ 2.6Å; E306-K334 PolarHBondContact OE1-NZ 2.73Å; E306-K334 IonicContact OE2-NZ 3.93Å; P332-K334 HydrophobicContact CB-CG 4.39Å; P332-K334 HydrophobicContact CG-CD 4.44Å; P332-K334 HydrophobicContact CG-CG 4.22Å; P332-K334 PolarHBondContact O-N 3.32Å
335	K	68.2	Low	73.4	Confident	68 Å²	68	61 Å²	61	30%	0.296	31%	0.311	S	S	.	.	S	Bend	trans	-141.5	146.4	-171.3	-61.3	179.7	-171.2	170.5	0	112.2	F333 Y337	F333-K335 VanDerWaalsContact CE1-O 3.25Å; F333-K335 WeakPolarHBondContact CE1-O 3.34Å; F333-K335 VanDerWaalsContact CZ-O 3.27Å; F333-K335 WeakPolarHBondContact CZ-O 3.44Å; K335-Y337 HydrophobicContact CB-CD2 4.43Å; K335-Y337 HydrophobicContact CB-CE1 4.42Å; K335-Y337 HydrophobicContact CB-CE2 3.84Å; K335-Y337 WeakPolarHBondContact O-CD2 3.34Å; K335-Y337 WeakPolarHBondContact O-CE2 3.18Å
336	L	71.8	Confident	72.2	Confident	76 Å²	76	68.9 Å²	68.9	40%	0.398	35%	0.346	S	S	.	.			trans	-78	134.4	167.5	-177.9	65.8	0	0	0	110.1	F338 Y354	L336-F338 HydrophobicContact CD2-CE1 4.45Å; L336-F338 HydrophobicContact CD2-CE2 4.06Å; L336-F338 HydrophobicContact CD2-CZ 3.67Å; L336-F338 HydrophobicContact CG-CE2 4.18Å; L336-F338 HydrophobicContact CG-CZ 4.17Å; L336-Y354 HydrophobicContact CD1-CD1 4.19Å; L336-Y354 HydrophobicContact CD1-CE1 3.7Å
337	Y	80	Confident	71.6	Confident	17 Å²	17	72.9 Å²	72.9	7%	0.067	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.2	-179.6	-64.3	-81.8	0	0	0	112.6	F329 F333 K335 L353 V375 T376 H386	F329-Y337 AromaticContact CD1-CD2 3.57Å; F329-Y337 HydrophobicContact CD1-CD2 3.57Å; F329-Y337 AromaticContact CD1-CE2 3.64Å; F329-Y337 HydrophobicContact CD1-CE2 3.64Å; F329-Y337 HydrophobicContact CD1-CG 4.27Å; F329-Y337 HydrophobicContact CE1-CD1 4.29Å; F329-Y337 AromaticContact CE1-CD2 3.22Å; F329-Y337 HydrophobicContact CE1-CD2 3.22Å; F329-Y337 AromaticContact CE1-CE2 3.76Å; F329-Y337 HydrophobicContact CE1-CE2 3.76Å; F329-Y337 AromaticContact CE1-CG 3.51Å; F329-Y337 HydrophobicContact CE1-CG 3.51Å; F329-Y337 HydrophobicContact CZ-CD2 4.08Å; F329-Y337 HydrophobicContact CZ-CG 4.25Å; F333-Y337 HydrophobicContact CD2-CE2 4.49Å; F333-Y337 AromaticContact CE2-CD2 3.73Å; F333-Y337 HydrophobicContact CE2-CD2 3.73Å; F333-Y337 HydrophobicContact CE2-CE2 4.1Å; F333-Y337 HydrophobicContact CZ-CD2 4Å; K335-Y337 HydrophobicContact CB-CD2 4.43Å; K335-Y337 HydrophobicContact CB-CE1 4.42Å; K335-Y337 HydrophobicContact CB-CE2 3.84Å; K335-Y337 WeakPolarHBondContact O-CD2 3.34Å; K335-Y337 WeakPolarHBondContact O-CE2 3.18Å; Y337-L353 PolarHBondContact O-N 2.93Å; Y337-V375 HydrophobicContact CD1-CG1 3.7Å; Y337-V375 HydrophobicContact CG-CG1 4.02Å; Y337-T376 CarbonylContact C-O 3.06Å; Y337-T376 VanDerWaalsContact CA-O 3.3Å; Y337-T376 WeakPolarHBondContact CA-O 3.35Å; Y337-H386 AromaticContact CE1-CD2 3.71Å; Y337-H386 AromaticContact CE1-NE2 3.85Å
338	F	83.6	Confident	71.3	Confident	17 Å²	17	76.7 Å²	76.7	8%	0.075	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.6	178	-56.1	-93.6	0	0	0	109.9	L336 V340 D351 R352 T376 E378	L336-F338 HydrophobicContact CD2-CE1 4.45Å; L336-F338 HydrophobicContact CD2-CE2 4.06Å; L336-F338 HydrophobicContact CD2-CZ 3.67Å; L336-F338 HydrophobicContact CG-CE2 4.18Å; L336-F338 HydrophobicContact CG-CZ 4.17Å; F338-V340 HydrophobicContact CB-CG2 4.32Å; F338-D351 WeakPolarHBondContact CA-O 3.44Å; F338-R352 HydrophobicContact CD1-CG 3.84Å; F338-R352 HydrophobicContact CE1-CG 3.82Å; F338-T376 PolarHBondContact N-O 2.99Å; F338-T376 PolarHBondContact O-N 3.11Å; F338-T376 PolarHBondContact O-OG1 3Å; F338-E378 HydrophobicContact CE2-CB 4.12Å
339	L	84.3	Confident	71	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.7	168.1	-166.5	70.8	0	0	0	109.1	M313 V327 L350 D351 L353 V360 I362 V373	M313-L339 HydrophobicContact CE-CD1 3.27Å; V327-L339 HydrophobicContact CG2-CD1 4.3Å; L339-L350 HydrophobicContact CB-CB 4.28Å; L339-L350 HydrophobicContact CD2-CB 4.13Å; L339-L350 HydrophobicContact CD2-CD1 3.78Å; L339-L350 HydrophobicContact CG-CB 4.33Å; L339-L350 HydrophobicContact CG-CD1 4.11Å; L339-L350 PolarHBondContact O-N 2.88Å; L339-D351 PolarHBondContact N-O 2.94Å; L339-L353 HydrophobicContact CB-CD1 4.24Å; L339-L353 HydrophobicContact CB-CD2 4.47Å; L339-L353 HydrophobicContact CB-CG 4.5Å; L339-V360 HydrophobicContact CD2-CB 3.82Å; L339-V360 HydrophobicContact CD2-CG1 3.54Å; L339-V360 HydrophobicContact CD2-CG2 4.12Å; L339-I362 HydrophobicContact CD2-CD1 4.35Å; L339-V373 HydrophobicContact CD1-CG1 3.43Å; L339-V373 VanDerWaalsContact CD1-CG1 3.43Å; L339-V373 HydrophobicContact CD2-CG1 4.18Å; L339-V373 HydrophobicContact CG-CG1 3.72Å
340	V	85.1	Confident	71	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.7	-175.1	179.4	0	0	0	0	110.6	F338 Y342 F347 T348 V373 C374 T376	F338-V340 HydrophobicContact CB-CG2 4.32Å; V340-Y342 HydrophobicContact CB-CE2 4.23Å; V340-Y342 HydrophobicContact CG1-CD2 4.11Å; V340-Y342 HydrophobicContact CG1-CE2 3.69Å; V340-F347 HydrophobicContact CG1-CB 3.67Å; V340-F347 HydrophobicContact CG1-CD2 4.07Å; V340-F347 HydrophobicContact CG1-CG 4.21Å; V340-T348 WeakPolarHBondContact CA-O 3.41Å; V340-V373 CarbonylContact O-C 3.52Å; V340-V373 WeakPolarHBondContact O-CA 3.38Å; V340-C374 PolarHBondContact N-O 3.02Å; V340-C374 PolarHBondContact O-N 3.16Å; V340-T376 HydrophobicContact CB-CG2 3.92Å; V340-T376 HydrophobicContact CG2-CG2 3.7Å; V340-T376 VanDerWaalsContact CG2-OG1 3.3Å; V340-T376 WeakPolarHBondContact CG2-OG1 3.47Å
341	L	83.6	Confident	71.4	Confident	23 Å²	23	80.7 Å²	80.7	12%	0.12	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.4	171.6	-178.4	70.6	0	0	0	109.5	F347 T348 L350 Y371 V373	L341-F347 CarbonylContact O-C 3.59Å; L341-F347 VanDerWaalsContact O-CA 3.27Å; L341-F347 WeakPolarHBondContact O-CA 3.42Å; L341-T348 PolarHBondContact N-O 3.09Å; L341-T348 PolarHBondContact O-N 3.4Å; L341-L350 HydrophobicContact CB-CD1 3.98Å; L341-L350 HydrophobicContact CB-CD2 4.18Å; L341-L350 HydrophobicContact CB-CG 4.01Å; L341-Y371 HydrophobicContact CD1-CD1 3.9Å; L341-Y371 HydrophobicContact CD1-CG 4.39Å; L341-Y371 HydrophobicContact CD2-CD1 4.49Å; L341-V373 HydrophobicContact CD1-CG2 3.5Å; L341-V373 VanDerWaalsContact CD1-CG2 3.5Å
342	Y	80.6	Confident	72.3	Confident	65 Å²	65	81.2 Å²	81.2	26%	0.255	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.8	175	-76.6	-89.6	0	0	0	111.3	V340 F347 T372 C374 N385	V340-Y342 HydrophobicContact CB-CE2 4.23Å; V340-Y342 HydrophobicContact CG1-CD2 4.11Å; V340-Y342 HydrophobicContact CG1-CE2 3.69Å; Y342-F347 HydrophobicContact CD1-CB 3.95Å; Y342-F347 HydrophobicContact CE1-CB 3.82Å; Y342-T372 PolarHBondContact N-O 2.96Å; Y342-C374 HydrophobicContact CD2-CB 4.37Å; Y342-C374 HydrophobicContact CE2-CB 3.99Å; Y342-N385 PolarHBondContact OH-ND2 3.46Å; Y342-N385 PolarHBondContact OH-OD1 2.97Å
343	N	76	Confident	73.3	Confident	98 Å²	98	77 Å²	77	52%	0.524	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	102.5	177.2	177.1	17.9	0	0	0	109.2	N345 F346	N343-N345 PolarHBondContact O-N 2.94Å; N343-F346 PolarHBondContact N-O 2.86Å; N343-F346 PolarHBondContact O-N 2.93Å
344	N	55.8	Low	73.7	Confident	146 Å²	146	80.4 Å²	80.4	78%	0.781	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.6	70	172.4	-64.2	-14.5	0	0	0	114	F346	N344-F346 PolarHBondContact O-N 2.98Å; N344-F346 VanDerWaalsContact O-N 3.17Å
345	N	52.9	Low	74.3	Confident	168 Å²	168	79.7 Å²	79.7	90%	0.898	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	-14.8	-174.3	-65.8	-2.7	0	0	0	117.4	N343	N343-N345 PolarHBondContact O-N 2.94Å
346	F	62.7	Low	74.6	Confident	166 Å²	166	80.3 Å²	80.3	73%	0.728	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	150.4	171.5	-65.8	-83.5	0	0	0	111.4	N343 N344	N343-F346 PolarHBondContact N-O 2.86Å; N343-F346 PolarHBondContact O-N 2.93Å; N344-F346 PolarHBondContact O-N 2.98Å; N344-F346 VanDerWaalsContact O-N 3.17Å
347	F	73.4	Confident	74.9	Confident	104 Å²	104	81.8 Å²	81.8	46%	0.456	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.4	176.3	71.9	-100.2	0	0	0	110.8	V340 L341 Y342 K383	V340-F347 HydrophobicContact CG1-CB 3.67Å; V340-F347 HydrophobicContact CG1-CD2 4.07Å; V340-F347 HydrophobicContact CG1-CG 4.21Å; L341-F347 CarbonylContact O-C 3.59Å; L341-F347 VanDerWaalsContact O-CA 3.27Å; L341-F347 WeakPolarHBondContact O-CA 3.42Å; Y342-F347 HydrophobicContact CD1-CB 3.95Å; Y342-F347 HydrophobicContact CE1-CB 3.82Å; F347-K383 VanDerWaalsContact CE2-NZ 3.33Å
348	T	76.9	Confident	75.1	Confident	79 Å²	79	82.8 Å²	82.8	49%	0.485	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.6	169.1	51.9	0	0	0	0	109.8	V340 L341 L350	V340-T348 WeakPolarHBondContact CA-O 3.41Å; L341-T348 PolarHBondContact N-O 3.09Å; L341-T348 PolarHBondContact O-N 3.4Å; T348-L350 PolarHBondContact O-N 3.11Å
349	N	75.1	Confident	75	Confident	88 Å²	88	85.6 Å²	85.6	47%	0.471	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	120.5	167.3	-59.7	-16.5	0	0	0	107.1	K383	N349-K383 PolarHBondContact OD1-NZ 3.42Å; N349-K383 VanDerWaalsContact OD1-NZ 3.15Å
350	L	76.6	Confident	75	Confident	58 Å²	58	86 Å²	86	30%	0.304	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-57.4	176.6	-67.1	177.3	0	0	0	110.6	L339 L341 T348 I362	L339-L350 HydrophobicContact CB-CB 4.28Å; L339-L350 HydrophobicContact CD2-CB 4.13Å; L339-L350 HydrophobicContact CD2-CD1 3.78Å; L339-L350 HydrophobicContact CG-CB 4.33Å; L339-L350 HydrophobicContact CG-CD1 4.11Å; L339-L350 PolarHBondContact O-N 2.88Å; L341-L350 HydrophobicContact CB-CD1 3.98Å; L341-L350 HydrophobicContact CB-CD2 4.18Å; L341-L350 HydrophobicContact CB-CG 4.01Å; T348-L350 PolarHBondContact O-N 3.11Å; L350-I362 HydrophobicContact CD1-CB 4.49Å; L350-I362 HydrophobicContact CD1-CD1 3.77Å; L350-I362 HydrophobicContact CD1-CG1 3.93Å; L350-I362 HydrophobicContact CD1-CG2 3.84Å; L350-I362 HydrophobicContact CD2-CG2 4.39Å
351	D	77.1	Confident	75	Confident	84 Å²	84	90.8 Å²	90.8	45%	0.449	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.5	-173.3	-95.9	-54.4	0	0	0	112.8	F338 L339 V360	F338-D351 WeakPolarHBondContact CA-O 3.44Å; L339-D351 PolarHBondContact N-O 2.94Å; D351-V360 HydrophobicContact CB-CG1 4.28Å; D351-V360 WeakPolarHBondContact OD2-CG1 3.3Å
352	R	78.1	Confident	75	Confident	150 Å²	150	89.9 Å²	89.9	57%	0.566	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.6	171.7	-62.5	-172.1	178.1	-171.9	-3.7	109	F338 Y354	F338-R352 HydrophobicContact CD1-CG 3.84Å; F338-R352 HydrophobicContact CE1-CG 3.82Å; R352-Y354 HydrophobicContact CB-CD2 4.13Å; R352-Y354 HydrophobicContact CB-CE2 3.42Å; R352-Y354 VanDerWaalsContact CB-CE2 3.42Å; R352-Y354 VanDerWaalsContact CD-OH 3.29Å; R352-Y354 WeakPolarHBondContact CD-OH 3.18Å; R352-Y354 HydrophobicContact CG-CE2 4.48Å; R352-Y354 WeakPolarHBondContact O-CD2 3.49Å
353	L	77.1	Confident	75.1	Confident	1 Å²	1	92.3 Å²	92.3	1%	0.005	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.2	-170.7	-55.7	175	0	0	0	109.6	V327 F329 Y337 L339 V360 V375	V327-L353 HydrophobicContact CB-CD1 4.33Å; V327-L353 HydrophobicContact CG1-CD1 4.09Å; V327-L353 HydrophobicContact CG2-CD1 4.24Å; F329-L353 HydrophobicContact CE2-CB 3.94Å; F329-L353 HydrophobicContact CE2-CD1 4.43Å; F329-L353 HydrophobicContact CZ-CB 3.66Å; F329-L353 HydrophobicContact CZ-CD1 3.71Å; F329-L353 HydrophobicContact CZ-CG 4.31Å; Y337-L353 PolarHBondContact O-N 2.93Å; L339-L353 HydrophobicContact CB-CD1 4.24Å; L339-L353 HydrophobicContact CB-CD2 4.47Å; L339-L353 HydrophobicContact CB-CG 4.5Å; L353-V360 HydrophobicContact CD2-CG2 3.77Å; L353-V375 HydrophobicContact CD1-CG1 4.44Å
354	Y	69.3	Low	75.2	Confident	141 Å²	141	95 Å²	95	55%	0.553	46%	0.461	S	S	*	.			trans	-123	-10.2	-170.7	-69.9	-71	0	0	0	114.3	L336 R352 E358	L336-Y354 HydrophobicContact CD1-CD1 4.19Å; L336-Y354 HydrophobicContact CD1-CE1 3.7Å; R352-Y354 HydrophobicContact CB-CD2 4.13Å; R352-Y354 HydrophobicContact CB-CE2 3.42Å; R352-Y354 VanDerWaalsContact CB-CE2 3.42Å; R352-Y354 VanDerWaalsContact CD-OH 3.29Å; R352-Y354 WeakPolarHBondContact CD-OH 3.18Å; R352-Y354 HydrophobicContact CG-CE2 4.48Å; R352-Y354 WeakPolarHBondContact O-CD2 3.49Å; Y354-E358 PolarHBondContact N-OE2 2.97Å
355	K	72.9	Confident	76.3	Confident	124 Å²	124	88.4 Å²	88.4	54%	0.539	43%	0.426	S	S	.	.	S	Bend	trans	-110.1	151.5	-177.2	-59	170.7	-168.3	143.9	0	110.6	F329 Q357 E358	F329-K355 WeakPolarHBondContact CD2-O 3.41Å; F329-K355 WeakPolarHBondContact CE2-O 3.46Å; K355-Q357 WeakPolarHBondContact CB-O 3.26Å; K355-Q357 PolarHBondContact O-N 2.83Å; K355-E358 HydrophobicContact CB-CB 4.41Å; K355-E358 WeakPolarHBondContact CD-OE1 3.31Å; K355-E358 VanDerWaalsContact CE-OE1 3.3Å; K355-E358 WeakPolarHBondContact CE-OE1 3.28Å; K355-E358 IonicContact NZ-OE1 2.65Å; K355-E358 PolarHBondContact NZ-OE1 3.08Å
356	V	73.1	Confident	77.4	Confident	81 Å²	81	86.1 Å²	86.1	49%	0.491	41%	0.41	S	S	.	.	S	Bend	trans	-57.9	-30.4	175.7	-179.1	0	0	0	0	112.1	Q328 F329	Q328-V356 CarbonylContact C-O 3.56Å; Q328-V356 WeakPolarHBondContact CA-O 3.4Å; F329-V356 PolarHBondContact N-O 2.66Å
357	Q	79.6	Confident	77.9	Confident	107 Å²	107	81 Å²	81	50%	0.5	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136	166.5	-174.3	177.7	-9	0	0	109.9	V327 Q328 K355	V327-Q357 CarbonylContact O-C 3.33Å; V327-Q357 VanDerWaalsContact O-CA 3.31Å; V327-Q357 WeakPolarHBondContact O-CA 3.45Å; Q328-Q357 HydrophobicContact CB-CG 4.4Å; Q328-Q357 HydrophobicContact CG-CB 4.5Å; K355-Q357 WeakPolarHBondContact CB-O 3.26Å; K355-Q357 PolarHBondContact O-N 2.83Å
358	E	82.9	Confident	78	Confident	39 Å²	39	82.8 Å²	82.8	18%	0.182	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	133.9	-177.9	-169.3	133	-131.9	0	0	111.5	T326 V327 Y354 K355 V360	T326-E358 WeakPolarHBondContact CA-O 3.49Å; V327-E358 PolarHBondContact N-O 2.74Å; V327-E358 PolarHBondContact O-N 2.87Å; Y354-E358 PolarHBondContact N-OE2 2.97Å; K355-E358 HydrophobicContact CB-CB 4.41Å; K355-E358 WeakPolarHBondContact CD-OE1 3.31Å; K355-E358 VanDerWaalsContact CE-OE1 3.3Å; K355-E358 WeakPolarHBondContact CE-OE1 3.28Å; K355-E358 IonicContact NZ-OE1 2.65Å; K355-E358 PolarHBondContact NZ-OE1 3.08Å; E358-V360 HydrophobicContact CG-CG2 4.31Å
359	D	82.8	Confident	78	Confident	76 Å²	76	80.9 Å²	80.9	41%	0.406	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.9	177.3	-75.2	17	0	0	0	109.1	K316 T326	K316-D359 WeakPolarHBondContact CD-OD2 3.21Å; K316-D359 IonicContact NZ-OD2 2.87Å; K316-D359 PolarHBondContact NZ-OD2 3.48Å; T326-D359 WeakPolarHBondContact CB-OD1 3.37Å; T326-D359 WeakPolarHBondContact CG2-OD1 3.46Å
360	V	83.5	Confident	78.4	Confident	8 Å²	8	83.3 Å²	83.3	5%	0.048	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.8	-177.3	-173.3	0	0	0	0	110.9	T324 V325 L339 D351 L353 E358	T324-V360 WeakPolarHBondContact CA-O 3.26Å; V325-V360 PolarHBondContact N-O 2.81Å; V325-V360 PolarHBondContact O-N 3.06Å; L339-V360 HydrophobicContact CD2-CB 3.82Å; L339-V360 HydrophobicContact CD2-CG1 3.54Å; L339-V360 HydrophobicContact CD2-CG2 4.12Å; D351-V360 HydrophobicContact CB-CG1 4.28Å; D351-V360 WeakPolarHBondContact OD2-CG1 3.3Å; L353-V360 HydrophobicContact CD2-CG2 3.77Å; E358-V360 HydrophobicContact CG-CG2 4.31Å
361	E	85.1	Confident	78.8	Confident	100 Å²	100	82 Å²	82	47%	0.467	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	100.8	-176.7	-167.8	-167.8	171.3	0	0	111.2	V322 T324 K363	V322-E361 HydrophobicContact CG1-CG 3.61Å; T324-E361 HydrophobicContact CG2-CB 4.23Å; T324-E361 HydrophobicContact CG2-CG 3.92Å; E361-K363 VanDerWaalsContact CD-NZ 3.26Å; E361-K363 HydrophobicContact CG-CG 4.45Å; E361-K363 PolarHBondContact O-N 3.42Å; E361-K363 WeakPolarHBondContact OE1-CE 3.26Å; E361-K363 IonicContact OE1-NZ 2.75Å; E361-K363 WeakPolarHBondContact OE2-CE 3.37Å; E361-K363 IonicContact OE2-NZ 3.19Å; E361-K363 PolarHBondContact OE2-NZ 2.81Å
362	I	84.8	Confident	79.3	Confident	5 Å²	5	80.5 Å²	80.5	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.4	-175.9	-45.2	-177.5	0	0	0	109.4	V322 A323 V325 L339 L350 L365 V373 F391	V322-I362 VanDerWaalsContact CA-O 3.31Å; V322-I362 WeakPolarHBondContact CA-O 3.15Å; A323-I362 PolarHBondContact N-O 3.26Å; A323-I362 PolarHBondContact O-N 2.84Å; V325-I362 HydrophobicContact CG2-CD1 3.98Å; L339-I362 HydrophobicContact CD2-CD1 4.35Å; L350-I362 HydrophobicContact CD1-CB 4.49Å; L350-I362 HydrophobicContact CD1-CD1 3.77Å; L350-I362 HydrophobicContact CD1-CG1 3.93Å; L350-I362 HydrophobicContact CD1-CG2 3.84Å; L350-I362 HydrophobicContact CD2-CG2 4.39Å; I362-L365 HydrophobicContact CG2-CD2 3.93Å; I362-V373 HydrophobicContact CD1-CB 4.48Å; I362-V373 HydrophobicContact CD1-CG1 4.15Å; I362-V373 HydrophobicContact CD1-CG2 3.71Å; I362-F391 HydrophobicContact CD1-CE1 4.34Å; I362-F391 HydrophobicContact CD1-CZ 4.28Å
363	K	81.4	Confident	79.7	Confident	116 Å²	116	73.3 Å²	73.3	50%	0.504	36%	0.364	S	S	.	.			trans	-103.2	169.8	-173.2	-69.4	168.9	-176.4	166.6	0	112.5	V322 E361 L365	V322-K363 HydrophobicContact CG1-CG 4.33Å; V322-K363 HydrophobicContact CG2-CG 4.29Å; E361-K363 VanDerWaalsContact CD-NZ 3.26Å; E361-K363 HydrophobicContact CG-CG 4.45Å; E361-K363 PolarHBondContact O-N 3.42Å; E361-K363 WeakPolarHBondContact OE1-CE 3.26Å; E361-K363 IonicContact OE1-NZ 2.75Å; E361-K363 WeakPolarHBondContact OE2-CE 3.37Å; E361-K363 IonicContact OE2-NZ 3.19Å; E361-K363 PolarHBondContact OE2-NZ 2.81Å; K363-L365 VanDerWaalsContact C-N 3.29Å; K363-L365 PolarHBondContact O-N 3.46Å
364	N	77.8	Confident	80.2	Confident	154 Å²	154	73.4 Å²	73.4	82%	0.824	36%	0.364	S	S	*	.	S	Bend	trans	60.7	32.3	175.4	-55.1	-24.7	0	0	0	114.3	T321	T321-N364 PolarHBondContact O-N 2.97Å
365	L	80.4	Confident	81	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.037	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-74.3	144.1	173.7	-54.7	170.9	0	0	0	110.3	T321 A323 I362 K363 Y371 F391 T393	T321-L365 WeakPolarHBondContact CA-O 3.04Å; T321-L365 WeakPolarHBondContact O-CB 3.06Å; T321-L365 PolarHBondContact O-N 2.97Å; A323-L365 HydrophobicContact CB-CD1 3.66Å; I362-L365 HydrophobicContact CG2-CD2 3.93Å; K363-L365 VanDerWaalsContact C-N 3.29Å; K363-L365 PolarHBondContact O-N 3.46Å; L365-Y371 HydrophobicContact CB-CD2 4.45Å; L365-Y371 HydrophobicContact CB-CE2 3.81Å; L365-Y371 HydrophobicContact CD2-CD1 4.22Å; L365-Y371 HydrophobicContact CD2-CD2 3.85Å; L365-Y371 HydrophobicContact CD2-CE1 4.15Å; L365-Y371 HydrophobicContact CD2-CE2 3.78Å; L365-Y371 HydrophobicContact CD2-CG 4.05Å; L365-Y371 HydrophobicContact CG-CE2 4.33Å; L365-F391 HydrophobicContact CD1-CE2 3.86Å; L365-F391 HydrophobicContact CD1-CZ 4.32Å; L365-T393 HydrophobicContact CB-CG2 3.87Å; L365-T393 HydrophobicContact CD1-CG2 3.88Å
366	Q	75.5	Confident	81.5	Confident	121 Å²	121	60.8 Å²	60.8	57%	0.565	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-78.6	145.7	170.5	-65.2	-65.5	-22.1	0	0	109.8	Y371 T393	Q366-Y371 WeakPolarHBondContact CB-OH 3.47Å; Q366-Y371 PolarHBondContact N-OH 3.39Å; Q366-T393 WeakPolarHBondContact O-CB 3.23Å; Q366-T393 PolarHBondContact O-OG1 3.24Å
367	P	73.6	Confident	82	Confident	59 Å²	59	57.2 Å²	57.2	38%	0.383	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	156.8	173.5	30.2	-35.6	0	0	0	111.9	N320 S369	N320-P367 HydrophobicContact CB-CB 4.4Å; N320-P367 WeakPolarHBondContact O-CA 3.42Å; P367-S369 PolarHBondContact O-N 3.22Å; P367-S369 VanDerWaalsContact O-N 3.13Å; P367-S369 PolarHBondContact O-OG 2.94Å; P367-S369 VanDerWaalsContact O-OG 3.11Å
368	H	73.6	Confident	81.8	Confident	140 Å²	140	56.9 Å²	56.9	65%	0.648	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	30	179.6	-56.4	95.4	0	0	0	114.7	T393	H368-T393 PolarHBondContact N-O 3.44Å; H368-T393 PolarHBondContact N-OG1 3.41Å
369	S	77.9	Confident	81.3	Confident	39 Å²	39	63.3 Å²	63.3	27%	0.273	31%	0.312	S	S	.	.			trans	-116.6	142.6	-175.7	-63.2	0	0	0	0	111	P367 S392 T393	P367-S369 PolarHBondContact O-N 3.22Å; P367-S369 VanDerWaalsContact O-N 3.13Å; P367-S369 PolarHBondContact O-OG 2.94Å; P367-S369 VanDerWaalsContact O-OG 3.11Å; S369-S392 WeakPolarHBondContact O-CA 3.2Å; S369-T393 PolarHBondContact N-OG1 2.87Å; S369-T393 PolarHBondContact O-N 3.4Å; S369-T393 PolarHBondContact O-OG1 2.87Å; S369-T393 VanDerWaalsContact O-OG1 3.09Å
370	N	83.6	Confident	80.4	Confident	139 Å²	139	66.7 Å²	66.7	74%	0.743	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.9	176.6	-67.2	-10	0	0	0	109.5	S392	N370-S392 WeakPolarHBondContact OD1-CB 3.48Å
371	Y	84.8	Confident	79.5	Confident	30 Å²	30	71.8 Å²	71.8	12%	0.118	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.7	-179.2	-72	-73.6	0	0	0	110.9	L341 L365 Q366 T390 F391 T393	L341-Y371 HydrophobicContact CD1-CD1 3.9Å; L341-Y371 HydrophobicContact CD1-CG 4.39Å; L341-Y371 HydrophobicContact CD2-CD1 4.49Å; L365-Y371 HydrophobicContact CB-CD2 4.45Å; L365-Y371 HydrophobicContact CB-CE2 3.81Å; L365-Y371 HydrophobicContact CD2-CD1 4.22Å; L365-Y371 HydrophobicContact CD2-CD2 3.85Å; L365-Y371 HydrophobicContact CD2-CE1 4.15Å; L365-Y371 HydrophobicContact CD2-CE2 3.78Å; L365-Y371 HydrophobicContact CD2-CG 4.05Å; L365-Y371 HydrophobicContact CG-CE2 4.33Å; Q366-Y371 WeakPolarHBondContact CB-OH 3.47Å; Q366-Y371 PolarHBondContact N-OH 3.39Å; Y371-T390 WeakPolarHBondContact O-CA 3.27Å; Y371-F391 HydrophobicContact CD2-CE2 4.2Å; Y371-F391 HydrophobicContact CG-CE2 4.36Å; Y371-F391 PolarHBondContact N-O 3.28Å; Y371-F391 PolarHBondContact O-N 2.82Å; Y371-T393 HydrophobicContact CD2-CG2 4.15Å; Y371-T393 HydrophobicContact CE2-CG2 4.14Å
372	T	87.1	Confident	78.3	Confident	53 Å²	53	73.7 Å²	73.7	33%	0.325	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.9	175.9	-54.3	0	0	0	0	108.8	Y342 T390	Y342-T372 PolarHBondContact N-O 2.96Å; T372-T390 HydrophobicContact CG2-CG2 4.07Å
373	V	87.5	Confident	77.7	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.5	-179.7	177.5	0	0	0	0	108.8	M313 L339 V340 L341 I362 C388 L389 F391	M313-V373 HydrophobicContact CE-CG1 4.3Å; L339-V373 HydrophobicContact CD1-CG1 3.43Å; L339-V373 VanDerWaalsContact CD1-CG1 3.43Å; L339-V373 HydrophobicContact CD2-CG1 4.18Å; L339-V373 HydrophobicContact CG-CG1 3.72Å; V340-V373 CarbonylContact O-C 3.52Å; V340-V373 WeakPolarHBondContact O-CA 3.38Å; L341-V373 HydrophobicContact CD1-CG2 3.5Å; L341-V373 VanDerWaalsContact CD1-CG2 3.5Å; I362-V373 HydrophobicContact CD1-CB 4.48Å; I362-V373 HydrophobicContact CD1-CG1 4.15Å; I362-V373 HydrophobicContact CD1-CG2 3.71Å; V373-C388 CarbonylContact O-C 3.49Å; V373-C388 VanDerWaalsContact O-CA 3.31Å; V373-C388 WeakPolarHBondContact O-CA 3.31Å; V373-L389 PolarHBondContact N-O 3.42Å; V373-L389 PolarHBondContact O-N 2.95Å; V373-F391 HydrophobicContact CB-CE1 4.46Å; V373-F391 HydrophobicContact CG2-CE1 3.73Å; V373-F391 HydrophobicContact CG2-CZ 4.18Å
374	C	86.1	Confident	77.4	Confident	3 Å²	3	75.5 Å²	75.5	2%	0.02	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.5	-179	-56.9	0	0	0	0	112.3	V340 Y342 T376 T387 C388	V340-C374 PolarHBondContact N-O 3.02Å; V340-C374 PolarHBondContact O-N 3.16Å; Y342-C374 HydrophobicContact CD2-CB 4.37Å; Y342-C374 HydrophobicContact CE2-CB 3.99Å; C374-T376 HydrophobicContact CB-CG2 4.22Å; C374-T387 CarbonylContact C-O 3.55Å; C374-T387 VanDerWaalsContact CA-O 3.24Å; C374-T387 WeakPolarHBondContact CA-O 3.44Å; C374-C388 HydrophobicContact CB-CB 4.1Å; C374-C388 WeakPolarHBondContact CB-SG 3.31Å; C374-C388 WeakPolarHBondContact SG-CB 3.4Å; C374-C388 CovalentContact SG-SG 2.04Å; C374-C388 PolarHBondContact SG-SG 3.31Å
375	V	86.6	Confident	77.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.1	160.5	-169.8	0	0	0	0	108.2	P311 M313 V327 F329 Y337 L353 H386 T387	P311-V375 HydrophobicContact CB-CG1 4.28Å; P311-V375 HydrophobicContact CG-CB 4.04Å; P311-V375 HydrophobicContact CG-CG1 3.85Å; P311-V375 HydrophobicContact CG-CG2 4.33Å; M313-V375 HydrophobicContact CE-CG2 3.36Å; M313-V375 HydrophobicContact SD-CG2 4.5Å; V327-V375 HydrophobicContact CG1-CG2 3.81Å; F329-V375 HydrophobicContact CE1-CG1 4.16Å; Y337-V375 HydrophobicContact CD1-CG1 3.7Å; Y337-V375 HydrophobicContact CG-CG1 4.02Å; L353-V375 HydrophobicContact CD1-CG1 4.44Å; V375-H386 PolarHBondContact O-N 2.95Å; V375-T387 PolarHBondContact N-O 3.5Å
376	T	84	Confident	77.4	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.1	-179.8	71.6	0	0	0	0	110.8	Y337 F338 V340 C374 Q384 N385	Y337-T376 CarbonylContact C-O 3.06Å; Y337-T376 VanDerWaalsContact CA-O 3.3Å; Y337-T376 WeakPolarHBondContact CA-O 3.35Å; F338-T376 PolarHBondContact N-O 2.99Å; F338-T376 PolarHBondContact O-N 3.11Å; F338-T376 PolarHBondContact O-OG1 3Å; V340-T376 HydrophobicContact CB-CG2 3.92Å; V340-T376 HydrophobicContact CG2-CG2 3.7Å; V340-T376 VanDerWaalsContact CG2-OG1 3.3Å; V340-T376 WeakPolarHBondContact CG2-OG1 3.47Å; C374-T376 HydrophobicContact CB-CG2 4.22Å; T376-Q384 CarbonylContact C-O 3.15Å; T376-Q384 VanDerWaalsContact CA-O 3.24Å; T376-Q384 WeakPolarHBondContact CA-O 3.3Å; T376-N385 WeakPolarHBondContact CG2-OD1 3.48Å
377	S	83	Confident	77.8	Confident	5 Å²	5	69.6 Å²	69.6	4%	0.035	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146	167.8	72.4	0	0	0	0	110.4	K383 Q384 H386	S377-K383 WeakPolarHBondContact O-CA 3.38Å; S377-Q384 PolarHBondContact N-O 3.43Å; S377-Q384 PolarHBondContact O-N 2.94Å; S377-H386 WeakPolarHBondContact CB-NE2 3.36Å; S377-H386 PolarHBondContact OG-NE2 2.99Å
378	E	76.4	Confident	78.3	Confident	100 Å²	100	70 Å²	70	47%	0.467	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.4	178.6	-165.6	155.1	-116.8	0	0	110.4	F338 K383	F338-E378 HydrophobicContact CE2-CB 4.12Å; E378-K383 HydrophobicContact CG-CG 4.48Å; E378-K383 WeakPolarHBondContact OE1-CE 3.41Å
379	R	71.9	Confident	78.9	Confident	175 Å²	175	65 Å²	65	66%	0.66	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.5	174.8	-173.5	-179.7	-174.7	-168.5	2.7	109	S381 M382	R379-S381 VanDerWaalsContact C-N 3.26Å; R379-S381 PolarHBondContact O-N 2.98Å; R379-M382 PolarHBondContact N-O 3.39Å; R379-M382 PolarHBondContact O-N 2.84Å; R379-M382 VanDerWaalsContact O-O 3.11Å
380	N	63.9	Low	79.2	Confident	147 Å²	147	68.1 Å²	68.1	79%	0.786	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	45.7	-179.8	-57.1	17.2	0	0	0	112.4	M382	N380-M382 PolarHBondContact O-N 2.86Å
381	S	65.4	Low	79.2	Confident	115 Å²	115	62.1 Å²	62.1	80%	0.804	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	5.5	-175.1	-53	0	0	0	0	116.4	R379	R379-S381 VanDerWaalsContact C-N 3.26Å; R379-S381 PolarHBondContact O-N 2.98Å
382	M	58.6	Low	79	Confident	139 Å²	139	63.8 Å²	63.8	69%	0.685	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	134	169.7	-63.6	-141.7	-68	0	0	110.6	R379 N380	R379-M382 PolarHBondContact N-O 3.39Å; R379-M382 PolarHBondContact O-N 2.84Å; R379-M382 VanDerWaalsContact O-O 3.11Å; N380-M382 PolarHBondContact O-N 2.86Å
383	K	72.9	Confident	78.5	Confident	66 Å²	66	61.3 Å²	61.3	29%	0.287	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.7	175.5	-65.5	-172.3	-180	-176.9	0	110.2	F347 N349 S377 E378	F347-K383 VanDerWaalsContact CE2-NZ 3.33Å; N349-K383 PolarHBondContact OD1-NZ 3.42Å; N349-K383 VanDerWaalsContact OD1-NZ 3.15Å; S377-K383 WeakPolarHBondContact O-CA 3.38Å; E378-K383 HydrophobicContact CG-CG 4.48Å; E378-K383 WeakPolarHBondContact OE1-CE 3.41Å
384	Q	75.8	Confident	77.4	Confident	94 Å²	94	62 Å²	62	44%	0.439	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.8	175.1	-65.2	-176.1	-31.7	0	0	109.1	T376 S377 H386	T376-Q384 CarbonylContact C-O 3.15Å; T376-Q384 VanDerWaalsContact CA-O 3.24Å; T376-Q384 WeakPolarHBondContact CA-O 3.3Å; S377-Q384 PolarHBondContact N-O 3.43Å; S377-Q384 PolarHBondContact O-N 2.94Å; Q384-H386 PolarHBondContact O-CD2 3.08Å; Q384-H386 VanDerWaalsContact O-CD2 3.25Å; Q384-H386 PolarHBondContact O-NE2 3.31Å
385	N	79.3	Confident	75.6	Confident	75 Å²	75	66.3 Å²	66.3	40%	0.401	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.9	176.2	-65.5	10.5	0	0	0	108.8	Y342 T376	Y342-N385 PolarHBondContact OH-ND2 3.46Å; Y342-N385 PolarHBondContact OH-OD1 2.97Å; T376-N385 WeakPolarHBondContact CG2-OD1 3.48Å
386	H	78.9	Confident	73.4	Confident	47 Å²	47	75.1 Å²	75.1	22%	0.218	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-44.1	-176.3	-64.5	-87.7	0	0	0	112.5	P311 Y337 V375 S377 Q384	P311-H386 HydrophobicContact CG-CB 3.76Å; Y337-H386 AromaticContact CE1-CD2 3.71Å; Y337-H386 AromaticContact CE1-NE2 3.85Å; V375-H386 PolarHBondContact O-N 2.95Å; S377-H386 WeakPolarHBondContact CB-NE2 3.36Å; S377-H386 PolarHBondContact OG-NE2 2.99Å; Q384-H386 PolarHBondContact O-CD2 3.08Å; Q384-H386 VanDerWaalsContact O-CD2 3.25Å; Q384-H386 PolarHBondContact O-NE2 3.31Å
387	T	82.6	Confident	71.1	Confident	35 Å²	35	82.2 Å²	82.2	22%	0.215	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	130.6	-174	-55.4	0	0	0	0	108.5	P311 M313 C374 V375	P311-T387 WeakPolarHBondContact O-CB 3.28Å; P311-T387 WeakPolarHBondContact O-CG2 3.33Å; P311-T387 PolarHBondContact O-OG1 3.27Å; M313-T387 HydrophobicContact CB-CG2 4.08Å; C374-T387 CarbonylContact C-O 3.55Å; C374-T387 VanDerWaalsContact CA-O 3.24Å; C374-T387 WeakPolarHBondContact CA-O 3.44Å; V375-T387 PolarHBondContact N-O 3.5Å
388	C	85.4	Confident	69.3	Low	69 Å²	69	85 Å²	85	47%	0.466	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.6	-178.2	-63.8	0	0	0	0	110.5	V373 C374	V373-C388 CarbonylContact O-C 3.49Å; V373-C388 VanDerWaalsContact O-CA 3.31Å; V373-C388 WeakPolarHBondContact O-CA 3.31Å; C374-C388 HydrophobicContact CB-CB 4.1Å; C374-C388 WeakPolarHBondContact CB-SG 3.31Å; C374-C388 WeakPolarHBondContact SG-CB 3.4Å; C374-C388 CovalentContact SG-SG 2.04Å; C374-C388 PolarHBondContact SG-SG 3.31Å
389	L	85.6	Confident	67.4	Low	34 Å²	34	89 Å²	89	18%	0.178	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.9	178.7	178.5	68.1	0	0	0	109.1	M313 L315 V325 V373	M313-L389 HydrophobicContact CG-CB 3.93Å; M313-L389 HydrophobicContact CG-CD2 3.9Å; M313-L389 HydrophobicContact SD-CB 3.45Å; M313-L389 WeakPolarHBondContact SD-CB 3.34Å; M313-L389 HydrophobicContact SD-CD2 4.18Å; M313-L389 HydrophobicContact SD-CG 4.47Å; L315-L389 HydrophobicContact CB-CD2 4.03Å; L315-L389 HydrophobicContact CD1-CD2 4.06Å; V325-L389 HydrophobicContact CG1-CD2 3.94Å; V325-L389 HydrophobicContact CG2-CD2 4.09Å; V373-L389 PolarHBondContact N-O 3.42Å; V373-L389 PolarHBondContact O-N 2.95Å
390	T	83.4	Confident	65.6	Low	105 Å²	105	88 Å²	88	64%	0.644	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.3	174.3	55.5	0	0	0	0	110.3	Y371 T372	Y371-T390 WeakPolarHBondContact O-CA 3.27Å; T372-T390 HydrophobicContact CG2-CG2 4.07Å
391	F	83.4	Confident	64	Low	12 Å²	12	92.6 Å²	92.6	5%	0.053	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159	175.7	61.8	-98.7	0	0	0	112	L315 V318 A323 V325 I362 L365 Y371 V373	L315-F391 HydrophobicContact CD1-CB 4.17Å; L315-F391 HydrophobicContact CD1-CD1 3.95Å; L315-F391 HydrophobicContact CD1-CG 4.09Å; L315-F391 HydrophobicContact CD2-CB 3.8Å; V318-F391 HydrophobicContact CG2-CB 4.32Å; V318-F391 HydrophobicContact CG2-CD2 4.11Å; V318-F391 HydrophobicContact CG2-CG 4.31Å; A323-F391 HydrophobicContact CB-CD2 4.16Å; A323-F391 HydrophobicContact CB-CE1 4.29Å; A323-F391 HydrophobicContact CB-CE2 3.52Å; A323-F391 HydrophobicContact CB-CZ 3.6Å; V325-F391 HydrophobicContact CG2-CE1 4.38Å; I362-F391 HydrophobicContact CD1-CE1 4.34Å; I362-F391 HydrophobicContact CD1-CZ 4.28Å; L365-F391 HydrophobicContact CD1-CE2 3.86Å; L365-F391 HydrophobicContact CD1-CZ 4.32Å; Y371-F391 HydrophobicContact CD2-CE2 4.2Å; Y371-F391 HydrophobicContact CG-CE2 4.36Å; Y371-F391 PolarHBondContact N-O 3.28Å; Y371-F391 PolarHBondContact O-N 2.82Å; V373-F391 HydrophobicContact CB-CE1 4.46Å; V373-F391 HydrophobicContact CG2-CE1 3.73Å; V373-F391 HydrophobicContact CG2-CZ 4.18Å
392	S	80.2	Confident	62.7	Low	66 Å²	66	92.6 Å²	92.6	46%	0.462	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.6	-178.7	59.3	0	0	0	0	111.7	S369 N370 G394	S369-S392 WeakPolarHBondContact O-CA 3.2Å; N370-S392 WeakPolarHBondContact OD1-CB 3.48Å; S392-G394 PolarHBondContact O-N 3.28Å
393	T	77.9	Confident	62	Low	0 Å²	0	91.7 Å²	91.7	0%	0	49%	0.488	C	S	.	.			trans	-82.5	56.8	-179.5	47.6	0	0	0	0	112.2	V318 L365 Q366 H368 S369 Y371	V318-T393 HydrophobicContact CG1-CG2 4.28Å; L365-T393 HydrophobicContact CB-CG2 3.87Å; L365-T393 HydrophobicContact CD1-CG2 3.88Å; Q366-T393 WeakPolarHBondContact O-CB 3.23Å; Q366-T393 PolarHBondContact O-OG1 3.24Å; H368-T393 PolarHBondContact N-O 3.44Å; H368-T393 PolarHBondContact N-OG1 3.41Å; S369-T393 PolarHBondContact N-OG1 2.87Å; S369-T393 PolarHBondContact O-N 3.4Å; S369-T393 PolarHBondContact O-OG1 2.87Å; S369-T393 VanDerWaalsContact O-OG1 3.09Å; Y371-T393 HydrophobicContact CD2-CG2 4.15Å; Y371-T393 HydrophobicContact CE2-CG2 4.14Å
394	G	64.6	Low	60.4	Low	16 Å²	16	95 Å²	95	17%	0.165	51%	0.509	C	S	.	.	S	Bend	trans	-108.2	174.2	-179.3	0	0	0	0	0	114.2	S392 W396	S392-G394 PolarHBondContact O-N 3.28Å; G394-W396 PolarHBondContact O-N 2.86Å
395	P	48.7	Very low	58.9	Low	93 Å²	93	97.4 Å²	97.4	60%	0.604	53%	0.525	S	S	*	.			trans	-58.4	102.7	172.4	-23.5	34.6	0	0	0	111.4	N397	P395-N397 VanDerWaalsContact C-N 3.34Å; P395-N397 PolarHBondContact O-N 3.02Å
396	W	40.4	Very low	57.6	Low	184 Å²	184	97 Å²	97	70%	0.697	53%	0.532	S	S	*	.			trans	-75.2	86	-175.5	-147.6	58.5	0	0	0	110	G394 G398	G394-W396 PolarHBondContact O-N 2.86Å; W396-G398 PolarHBondContact O-N 3.21Å
397	N	35.2	Very low	56.6	Low	149 Å²	149	99.5 Å²	99.5	80%	0.797	55%	0.551	S	S	*	*			trans	-72.9	62.4	-179.9	-100.2	-23.4	0	0	0	111.8	P395 K399	P395-N397 VanDerWaalsContact C-N 3.34Å; P395-N397 PolarHBondContact O-N 3.02Å; N397-K399 VanDerWaalsContact C-N 3.34Å; N397-K399 PolarHBondContact O-N 2.97Å
398	G	45.3	Very low	55.3	Low	64 Å²	64	100.5 Å²	100.5	66%	0.66	56%	0.562	S	S	*	*			trans	-68	89	166.2	0	0	0	0	0	110.5	W396	W396-G398 PolarHBondContact O-N 3.21Å
399	K	35.2	Very low	54	Low	183 Å²	183	101.5 Å²	101.5	80%	0.796	57%	0.567	S	S	*	*			trans	-139.3	128.6	163.3	-75.1	-166.2	175.3	-176.7	0	110.1	N397 R401	N397-K399 VanDerWaalsContact C-N 3.34Å; N397-K399 PolarHBondContact O-N 2.97Å; K399-R401 PolarHBondContact O-N 3.31Å
400	D	33.9	Very low	52.5	Low	154 Å²	154	106.1 Å²	106.1	82%	0.824	59%	0.587	S	S	*	*			trans	-54.2	136.2	170.4	-59.1	-80.1	0	0	0	111	V402	D400-V402 PolarHBondContact O-N 3.37Å
401	R	32.3	Very low	51.6	Low	245 Å²	245	108.6 Å²	108.6	93%	0.925	59%	0.586	S	S	*	*			trans	-75.3	75.8	172.7	-84.2	-175.4	163.7	-173.2	-4.1	110.6	K399 V403	K399-R401 PolarHBondContact O-N 3.31Å; R401-V403 PolarHBondContact O-N 3.41Å
402	V	37.9	Very low	51	Low	115 Å²	115	112.9 Å²	112.9	70%	0.697	61%	0.608	S	S	*	*			trans	-58	124.5	151.4	178.3	0	0	0	0	107.3	D400 N404	D400-V402 PolarHBondContact O-N 3.37Å; V402-N404 PolarHBondContact O-N 2.61Å; V402-N404 VanDerWaalsContact O-N 3.15Å
403	V	43.1	Very low	50.4	Low	120 Å²	120	116.1 Å²	116.1	73%	0.727	62%	0.618	S	S	*	*			trans	-70.5	109	-174.4	178.8	0	0	0	0	109.8	R401	R401-V403 PolarHBondContact O-N 3.41Å
404	N	39.4	Very low	50.2	Low	135 Å²	135	119.2 Å²	119.2	72%	0.722	64%	0.636	S	S	*	*			trans	-105.7	118.5	174.5	-80.8	-24.1	0	0	0	110.6	V402 A406	V402-N404 PolarHBondContact O-N 2.61Å; V402-N404 VanDerWaalsContact O-N 3.15Å; N404-A406 PolarHBondContact O-N 2.65Å
405	N	43.5	Very low	50.9	Low	144 Å²	144	123.2 Å²	123.2	77%	0.77	65%	0.653	S	S	*	*			trans	-76.6	58.8	-175.3	-64.9	-25.2	0	0	0	112.8
406	A	52.2	Low	52.3	Low	67 Å²	67	123.4 Å²	123.4	55%	0.554	65%	0.649	S	S	*	*			trans	-98	1.4	-171.4	0	0	0	0	0	115.3	N404 T409	N404-A406 PolarHBondContact O-N 2.65Å; A406-T409 PolarHBondContact O-OG1 2.68Å
407	T	58	Low	54.2	Low	99 Å²	99	116.4 Å²	116.4	61%	0.607	63%	0.633	S	S	*	*	H	α-helix	trans	-81.9	-43.3	-179.9	48.9	0	0	0	0	112.9	T409 H410 Y411	T407-T409 PolarHBondContact O-N 2.81Å; T407-H410 PolarHBondContact O-N 3.02Å; T407-H410 VanDerWaalsContact O-N 3.11Å; T407-Y411 VanDerWaalsContact O-CD2 3.31Å; T407-Y411 WeakPolarHBondContact O-CD2 3.25Å; T407-Y411 PolarHBondContact O-N 3.45Å; T407-Y411 VanDerWaalsContact O-N 3.12Å
408	A	54.8	Low	56.1	Low	56 Å²	56	113.2 Å²	113.2	46%	0.463	62%	0.622	S	S	.	*	H	α-helix	trans	-60.4	-40.8	-173.6	0	0	0	0	0	113.1	H410 Y411 I412	A408-H410 VanDerWaalsContact C-N 3.33Å; A408-H410 PolarHBondContact O-N 3.02Å; A408-Y411 PolarHBondContact O-N 3.49Å; A408-I412 VanDerWaalsContact O-CG1 3.3Å; A408-I412 WeakPolarHBondContact O-CG1 3.45Å; A408-I412 PolarHBondContact O-N 2.87Å
409	T	58.1	Low	57.7	Low	91 Å²	91	115.2 Å²	115.2	56%	0.558	62%	0.617	S	S	*	*	H	α-helix	trans	-63.7	-38	176.4	48.1	0	0	0	0	112.1	A406 T407 I412 M413	A406-T409 PolarHBondContact O-OG1 2.68Å; T407-T409 PolarHBondContact O-N 2.81Å; T409-I412 PolarHBondContact O-N 3.03Å; T409-M413 WeakPolarHBondContact O-CB 3.28Å; T409-M413 WeakPolarHBondContact O-CG 3.46Å; T409-M413 PolarHBondContact O-N 3.04Å
410	H	55.2	Low	60.1	Low	130 Å²	130	113.6 Å²	113.6	60%	0.602	61%	0.61	S	S	*	*	H	α-helix	trans	-67.6	-40.2	177.2	-160.4	-66.7	0	0	0	111.9	T407 A408 M413 T414	T407-H410 PolarHBondContact O-N 3.02Å; T407-H410 VanDerWaalsContact O-N 3.11Å; A408-H410 VanDerWaalsContact C-N 3.33Å; A408-H410 PolarHBondContact O-N 3.02Å; H410-M413 PolarHBondContact O-N 3.06Å; H410-T414 WeakPolarHBondContact O-CG2 3.22Å; H410-T414 PolarHBondContact O-N 2.97Å; H410-T414 PolarHBondContact O-OG1 3.02Å
411	Y	63.5	Low	62.1	Low	158 Å²	158	109.9 Å²	109.9	62%	0.62	60%	0.596	S	S	*	*	H	α-helix	trans	-66.4	-41	174.5	-78.3	-67.7	0	0	0	113	T407 A408 M413 T414 I415	T407-Y411 VanDerWaalsContact O-CD2 3.31Å; T407-Y411 WeakPolarHBondContact O-CD2 3.25Å; T407-Y411 PolarHBondContact O-N 3.45Å; T407-Y411 VanDerWaalsContact O-N 3.12Å; A408-Y411 PolarHBondContact O-N 3.49Å; Y411-M413 VanDerWaalsContact C-N 3.35Å; Y411-T414 PolarHBondContact O-N 2.99Å; Y411-T414 PolarHBondContact O-OG1 3.42Å; Y411-T414 VanDerWaalsContact O-OG1 3.06Å; Y411-I415 WeakPolarHBondContact O-CB 3.24Å; Y411-I415 WeakPolarHBondContact O-CD1 3.08Å; Y411-I415 VanDerWaalsContact O-CG1 3.26Å; Y411-I415 WeakPolarHBondContact O-CG1 3.49Å; Y411-I415 PolarHBondContact O-N 2.64Å
412	I	71.5	Confident	64.6	Low	101 Å²	101	104 Å²	104	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-63.9	-42.6	176.3	-68.5	164.2	0	0	0	110.4	A408 T409 I415 L416	A408-I412 VanDerWaalsContact O-CG1 3.3Å; A408-I412 WeakPolarHBondContact O-CG1 3.45Å; A408-I412 PolarHBondContact O-N 2.87Å; T409-I412 PolarHBondContact O-N 3.03Å; I412-I415 PolarHBondContact O-N 2.91Å; I412-L416 HydrophobicContact CG2-CD1 3.87Å; I412-L416 HydrophobicContact CG2-CG 4.44Å; I412-L416 WeakPolarHBondContact O-CB 3.15Å; I412-L416 VanDerWaalsContact O-CG 3.28Å; I412-L416 WeakPolarHBondContact O-CG 3.27Å; I412-L416 PolarHBondContact O-N 3.2Å
413	M	67.4	Low	66.9	Low	135 Å²	135	103.4 Å²	103.4	67%	0.665	58%	0.577	S	S	*	*	H	α-helix	trans	-66.1	-38.1	178.1	-71.9	-66.7	-71.6	0	0	113.1	T409 H410 Y411 G417	T409-M413 WeakPolarHBondContact O-CB 3.28Å; T409-M413 WeakPolarHBondContact O-CG 3.46Å; T409-M413 PolarHBondContact O-N 3.04Å; H410-M413 PolarHBondContact O-N 3.06Å; Y411-M413 VanDerWaalsContact C-N 3.35Å; M413-G417 PolarHBondContact O-N 3.22Å
414	T	74.2	Confident	69	Low	64 Å²	64	102.1 Å²	102.1	39%	0.393	57%	0.565	S	S	.	*	H	α-helix	trans	-70.4	-40.9	175.3	53	0	0	0	0	112.2	H410 Y411 G417 C418	H410-T414 WeakPolarHBondContact O-CG2 3.22Å; H410-T414 PolarHBondContact O-N 2.97Å; H410-T414 PolarHBondContact O-OG1 3.02Å; Y411-T414 PolarHBondContact O-N 2.99Å; Y411-T414 PolarHBondContact O-OG1 3.42Å; Y411-T414 VanDerWaalsContact O-OG1 3.06Å; T414-G417 PolarHBondContact O-N 3.43Å; T414-C418 PolarHBondContact O-N 2.97Å; T414-C418 PolarHBondContact O-SG 2.85Å; T414-C418 VanDerWaalsContact O-SG 3.36Å
415	I	78.6	Confident	71.2	Confident	101 Å²	101	102 Å²	102	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-60.5	-47.1	175.2	-69.7	166.4	0	0	0	110.6	Y411 I412 G417 C418 L419	Y411-I415 WeakPolarHBondContact O-CB 3.24Å; Y411-I415 WeakPolarHBondContact O-CD1 3.08Å; Y411-I415 VanDerWaalsContact O-CG1 3.26Å; Y411-I415 WeakPolarHBondContact O-CG1 3.49Å; Y411-I415 PolarHBondContact O-N 2.64Å; I412-I415 PolarHBondContact O-N 2.91Å; I415-G417 PolarHBondContact O-N 2.83Å; I415-C418 PolarHBondContact O-N 3.31Å; I415-L419 HydrophobicContact CG2-CD1 4.03Å; I415-L419 WeakPolarHBondContact O-CG 3.3Å; I415-L419 PolarHBondContact O-N 3.18Å
416	L	77.8	Confident	73.2	Confident	97 Å²	97	100.6 Å²	100.6	51%	0.508	55%	0.55	S	S	.	*	H	α-helix	trans	-61.5	-41.7	175.8	-71.7	171.5	0	0	0	112	I412 C418 L419 F420	I412-L416 HydrophobicContact CG2-CD1 3.87Å; I412-L416 HydrophobicContact CG2-CG 4.44Å; I412-L416 WeakPolarHBondContact O-CB 3.15Å; I412-L416 VanDerWaalsContact O-CG 3.28Å; I412-L416 WeakPolarHBondContact O-CG 3.27Å; I412-L416 PolarHBondContact O-N 3.2Å; L416-C418 PolarHBondContact O-N 2.98Å; L416-L419 PolarHBondContact O-N 3.38Å; L416-F420 WeakPolarHBondContact O-CB 3.46Å; L416-F420 PolarHBondContact O-N 3.44Å
417	G	81.4	Confident	74.9	Confident	36 Å²	36	99.2 Å²	99.2	37%	0.371	54%	0.542	S	S	.	.	H	α-helix	trans	-60.4	-43.1	174.8	0	0	0	0	0	113.2	M413 T414 I415 F420 S421	M413-G417 PolarHBondContact O-N 3.22Å; T414-G417 PolarHBondContact O-N 3.43Å; I415-G417 PolarHBondContact O-N 2.83Å; G417-F420 PolarHBondContact O-N 2.96Å; G417-S421 WeakPolarHBondContact O-CB 3.29Å; G417-S421 PolarHBondContact O-N 2.91Å; G417-S421 PolarHBondContact O-OG 3.33Å
418	C	75.6	Confident	76.2	Confident	83 Å²	83	99 Å²	99	56%	0.561	54%	0.537	S	S	*	.	H	α-helix	trans	-64.4	-43.5	175.8	-72.1	0	0	0	0	112.3	T414 I415 L416 S421 M422	T414-C418 PolarHBondContact O-N 2.97Å; T414-C418 PolarHBondContact O-SG 2.85Å; T414-C418 VanDerWaalsContact O-SG 3.36Å; I415-C418 PolarHBondContact O-N 3.31Å; L416-C418 PolarHBondContact O-N 2.98Å; C418-S421 PolarHBondContact O-N 2.78Å; C418-M422 WeakPolarHBondContact O-CG 3.3Å; C418-M422 PolarHBondContact O-N 2.98Å
419	L	79.3	Confident	77.6	Confident	106 Å²	106	99.2 Å²	99.2	56%	0.555	53%	0.532	S	S	*	.	H	α-helix	trans	-63.3	-45.2	176.5	-70.8	170.5	0	0	0	111.7	I415 L416 S421 M422 V423	I415-L419 HydrophobicContact CG2-CD1 4.03Å; I415-L419 WeakPolarHBondContact O-CG 3.3Å; I415-L419 PolarHBondContact O-N 3.18Å; L416-L419 PolarHBondContact O-N 3.38Å; L419-S421 VanDerWaalsContact C-N 3.3Å; L419-S421 PolarHBondContact O-N 3.28Å; L419-M422 PolarHBondContact O-N 3.42Å; L419-V423 WeakPolarHBondContact O-CG2 3.41Å; L419-V423 PolarHBondContact O-N 2.82Å
420	F	83.6	Confident	79.1	Confident	149 Å²	149	101.9 Å²	101.9	65%	0.654	53%	0.533	S	S	*	.	H	α-helix	trans	-62.8	-38.7	177.3	-140.4	-90.6	0	0	0	111.8	L416 G417 V423 I424	L416-F420 WeakPolarHBondContact O-CB 3.46Å; L416-F420 PolarHBondContact O-N 3.44Å; G417-F420 PolarHBondContact O-N 2.96Å; F420-V423 PolarHBondContact O-N 2.03Å; F420-I424 HydrophobicContact CD1-CD1 3.83Å; F420-I424 HydrophobicContact CD1-CG1 4.39Å; F420-I424 HydrophobicContact CE1-CD1 4.23Å; F420-I424 WeakPolarHBondContact O-CG1 3.36Å; F420-I424 PolarHBondContact O-N 2.84Å
421	S	76.8	Confident	80.6	Confident	75 Å²	75	102.1 Å²	102.1	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-41.8	174.9	-59	0	0	0	0	112.3	G417 C418 L419 I424 F425	G417-S421 WeakPolarHBondContact O-CB 3.29Å; G417-S421 PolarHBondContact O-N 2.91Å; G417-S421 PolarHBondContact O-OG 3.33Å; C418-S421 PolarHBondContact O-N 2.78Å; L419-S421 VanDerWaalsContact C-N 3.3Å; L419-S421 PolarHBondContact O-N 3.28Å; S421-I424 PolarHBondContact O-N 3.08Å; S421-F425 WeakPolarHBondContact O-CB 3.33Å; S421-F425 PolarHBondContact O-N 2.89Å
422	M	85.7	Confident	81.5	Confident	123 Å²	123	98 Å²	98	61%	0.606	52%	0.523	S	S	*	.	H	α-helix	trans	-63.8	-42.1	174.6	-77.2	-67.7	-178.3	0	0	112.4	C418 L419 F425 L426	C418-M422 WeakPolarHBondContact O-CG 3.3Å; C418-M422 PolarHBondContact O-N 2.98Å; L419-M422 PolarHBondContact O-N 3.42Å; M422-F425 PolarHBondContact O-N 2.94Å; M422-L426 WeakPolarHBondContact O-CB 3.46Å; M422-L426 WeakPolarHBondContact O-CG 3.16Å; M422-L426 PolarHBondContact O-N 3.24Å
423	V	86.3	Confident	81.9	Confident	102 Å²	102	98.4 Å²	98.4	62%	0.618	53%	0.525	S	S	*	.	H	α-helix	trans	-63	-42.1	176.2	172.4	0	0	0	0	111.3	L419 F420 G427	L419-V423 WeakPolarHBondContact O-CG2 3.41Å; L419-V423 PolarHBondContact O-N 2.82Å; F420-V423 PolarHBondContact O-N 2.03Å; V423-G427 PolarHBondContact O-N 3.24Å
424	I	85.8	Confident	82.7	Confident	93 Å²	93	98.8 Å²	98.8	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-62.8	-45.4	174.8	-69.5	167.8	0	0	0	110.9	F420 S421 G427 I428	F420-I424 HydrophobicContact CD1-CD1 3.83Å; F420-I424 HydrophobicContact CD1-CG1 4.39Å; F420-I424 HydrophobicContact CE1-CD1 4.23Å; F420-I424 WeakPolarHBondContact O-CG1 3.36Å; F420-I424 PolarHBondContact O-N 2.84Å; S421-I424 PolarHBondContact O-N 3.08Å; I424-G427 PolarHBondContact O-N 3.49Å; I424-I428 HydrophobicContact CG2-CD1 3.92Å; I424-I428 WeakPolarHBondContact O-CG1 3.35Å; I424-I428 PolarHBondContact O-N 2.86Å
425	F	86.5	Confident	83.1	Confident	133 Å²	133	102.3 Å²	102.3	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-46.2	179.5	-172.8	-96.6	0	0	0	112.2	S421 M422 G427 I428 V429	S421-F425 WeakPolarHBondContact O-CB 3.33Å; S421-F425 PolarHBondContact O-N 2.89Å; M422-F425 PolarHBondContact O-N 2.94Å; F425-G427 VanDerWaalsContact C-N 3.31Å; F425-G427 PolarHBondContact O-N 3.16Å; F425-I428 PolarHBondContact O-N 2.99Å; F425-V429 HydrophobicContact CD1-CG2 4.18Å; F425-V429 HydrophobicContact CE1-CG2 3.85Å; F425-V429 HydrophobicContact CZ-CG2 4.24Å; F425-V429 WeakPolarHBondContact O-CG2 3.4Å; F425-V429 PolarHBondContact O-N 3.34Å
426	L	84.6	Confident	83.3	Confident	114 Å²	114	103.4 Å²	103.4	60%	0.597	53%	0.526	S	S	*	.	H	α-helix	trans	-61.8	-38.5	174.3	-71.4	169.4	0	0	0	111.8	M422 V429 Y430	M422-L426 WeakPolarHBondContact O-CB 3.46Å; M422-L426 WeakPolarHBondContact O-CG 3.16Å; M422-L426 PolarHBondContact O-N 3.24Å; L426-V429 PolarHBondContact O-N 3.05Å; L426-Y430 VanDerWaalsContact O-CB 3.31Å; L426-Y430 WeakPolarHBondContact O-CB 3.07Å; L426-Y430 PolarHBondContact O-N 3.02Å
427	G	88.8	Confident	83.4	Confident	38 Å²	38	107 Å²	107	39%	0.392	53%	0.533	S	S	.	.	H	α-helix	trans	-61	-42.2	173.1	0	0	0	0	0	113.1	V423 I424 F425 Y431	V423-G427 PolarHBondContact O-N 3.24Å; I424-G427 PolarHBondContact O-N 3.49Å; F425-G427 VanDerWaalsContact C-N 3.31Å; F425-G427 PolarHBondContact O-N 3.16Å; G427-Y431 VanDerWaalsContact O-CB 3.3Å; G427-Y431 WeakPolarHBondContact O-CB 3.23Å; G427-Y431 PolarHBondContact O-N 2.87Å
428	I	84.7	Confident	83.2	Confident	95 Å²	95	109.9 Å²	109.9	49%	0.487	54%	0.537	S	S	.	.	H	α-helix	trans	-66.4	-45.2	175.2	-68.6	165.6	0	0	0	110.9	I424 F425 Y431 C432	I424-I428 HydrophobicContact CG2-CD1 3.92Å; I424-I428 WeakPolarHBondContact O-CG1 3.35Å; I424-I428 PolarHBondContact O-N 2.86Å; F425-I428 PolarHBondContact O-N 2.99Å; I428-Y431 PolarHBondContact O-N 3.28Å; I428-C432 WeakPolarHBondContact O-CB 3.31Å; I428-C432 PolarHBondContact O-N 2.85Å; I428-C432 PolarHBondContact O-SG 3.19Å; I428-C432 VanDerWaalsContact O-SG 3.37Å
429	V	84.8	Confident	83.2	Confident	59 Å²	59	111.1 Å²	111.1	36%	0.358	53%	0.534	S	S	.	.	H	α-helix	trans	-60.6	-46.8	176.5	169.8	0	0	0	0	110.9	F425 L426 Y431 C432 L433	F425-V429 HydrophobicContact CD1-CG2 4.18Å; F425-V429 HydrophobicContact CE1-CG2 3.85Å; F425-V429 HydrophobicContact CZ-CG2 4.24Å; F425-V429 WeakPolarHBondContact O-CG2 3.4Å; F425-V429 PolarHBondContact O-N 3.34Å; L426-V429 PolarHBondContact O-N 3.05Å; V429-Y431 PolarHBondContact O-N 3.36Å; V429-C432 PolarHBondContact O-N 3.36Å; V429-L433 HydrophobicContact CG1-CD1 3.97Å; V429-L433 HydrophobicContact CG1-CG 4.48Å; V429-L433 WeakPolarHBondContact O-CG 3.48Å; V429-L433 PolarHBondContact O-N 3.09Å
430	Y	89.3	Confident	83	Confident	148 Å²	148	109.5 Å²	109.5	58%	0.58	53%	0.526	S	S	*	.	H	α-helix	trans	-61.6	-43.1	175.7	177.1	-115.3	0	0	0	112.3	L426 C432 L433 R434	L426-Y430 VanDerWaalsContact O-CB 3.31Å; L426-Y430 WeakPolarHBondContact O-CB 3.07Å; L426-Y430 PolarHBondContact O-N 3.02Å; Y430-C432 PolarHBondContact O-N 3.14Å; Y430-L433 PolarHBondContact O-N 2.87Å; Y430-R434 VanDerWaalsContact O-CB 3.27Å; Y430-R434 WeakPolarHBondContact O-CB 3.16Å; Y430-R434 PolarHBondContact O-N 2.91Å
431	Y	86.2	Confident	82.8	Confident	135 Å²	135	106.5 Å²	106.5	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-44.3	174.9	177.3	-94.6	0	0	0	111.9	G427 I428 V429 R434 R435	G427-Y431 VanDerWaalsContact O-CB 3.3Å; G427-Y431 WeakPolarHBondContact O-CB 3.23Å; G427-Y431 PolarHBondContact O-N 2.87Å; I428-Y431 PolarHBondContact O-N 3.28Å; V429-Y431 PolarHBondContact O-N 3.36Å; Y431-R434 PolarHBondContact O-N 3.14Å; Y431-R435 VanDerWaalsContact O-CB 3.24Å; Y431-R435 WeakPolarHBondContact O-CB 3.4Å; Y431-R435 PolarHBondContact O-N 3.11Å
432	C	81.8	Confident	82.7	Confident	71 Å²	71	110 Å²	110	48%	0.48	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-44	176.7	-75.5	0	0	0	0	112.3	I428 V429 Y430 R435 K436	I428-C432 WeakPolarHBondContact O-CB 3.31Å; I428-C432 PolarHBondContact O-N 2.85Å; I428-C432 PolarHBondContact O-SG 3.19Å; I428-C432 VanDerWaalsContact O-SG 3.37Å; V429-C432 PolarHBondContact O-N 3.36Å; Y430-C432 PolarHBondContact O-N 3.14Å; C432-R435 PolarHBondContact O-N 2.97Å; C432-K436 WeakPolarHBondContact O-CB 3.31Å; C432-K436 PolarHBondContact O-N 3.31Å
433	L	80.3	Confident	81.9	Confident	109 Å²	109	110.6 Å²	110.6	57%	0.571	52%	0.522	S	S	*	.	H	α-helix	trans	-63.4	-42.2	174.7	-70.3	171.6	0	0	0	111.9	V429 Y430 K436 R437	V429-L433 HydrophobicContact CG1-CD1 3.97Å; V429-L433 HydrophobicContact CG1-CG 4.48Å; V429-L433 WeakPolarHBondContact O-CG 3.48Å; V429-L433 PolarHBondContact O-N 3.09Å; Y430-L433 PolarHBondContact O-N 2.87Å; L433-K436 PolarHBondContact O-N 3.19Å; L433-R437 WeakPolarHBondContact O-CB 3.47Å; L433-R437 PolarHBondContact O-N 3.12Å
434	R	85.7	Confident	81.1	Confident	143 Å²	143	115.6 Å²	115.6	54%	0.54	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-41.2	176.6	-169.8	175.4	-175	-176.8	2.9	111.9	Y430 Y431 R437 Q438	Y430-R434 VanDerWaalsContact O-CB 3.27Å; Y430-R434 WeakPolarHBondContact O-CB 3.16Å; Y430-R434 PolarHBondContact O-N 2.91Å; Y431-R434 PolarHBondContact O-N 3.14Å; R434-R437 PolarHBondContact O-N 3.41Å; R434-Q438 WeakPolarHBondContact O-CG 3.48Å; R434-Q438 PolarHBondContact O-N 2.92Å
435	R	82.5	Confident	80.3	Confident	139 Å²	139	118.1 Å²	118.1	53%	0.525	54%	0.537	S	S	.	.	H	α-helix	trans	-66.3	-40.3	176.1	-173	173.6	-179.8	176.7	0.3	111.5	Y431 C432 Q438 Q439	Y431-R435 VanDerWaalsContact O-CB 3.24Å; Y431-R435 WeakPolarHBondContact O-CB 3.4Å; Y431-R435 PolarHBondContact O-N 3.11Å; C432-R435 PolarHBondContact O-N 2.97Å; R435-Q438 PolarHBondContact O-N 3.01Å; R435-Q439 WeakPolarHBondContact O-CG 3.31Å; R435-Q439 PolarHBondContact O-N 3.32Å
436	K	81.2	Confident	79.1	Confident	124 Å²	124	114.7 Å²	114.7	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-61.2	-50.7	171.9	-176.4	-178.1	175.5	-175	0	111.2	C432 L433 Q438 Q439 D440	C432-K436 WeakPolarHBondContact O-CB 3.31Å; C432-K436 PolarHBondContact O-N 3.31Å; L433-K436 PolarHBondContact O-N 3.19Å; K436-Q438 VanDerWaalsContact C-N 3.27Å; K436-Q438 PolarHBondContact O-N 2.93Å; K436-Q439 CarbonylContact O-C 3.2Å; K436-Q439 WeakPolarHBondContact O-CA 3.35Å; K436-Q439 WeakPolarHBondContact O-CB 3.3Å; K436-Q439 PolarHBondContact O-N 2.97Å; K436-D440 PolarHBondContact O-N 2.93Å
437	R	81	Confident	77.9	Confident	172 Å²	172	110.8 Å²	110.8	65%	0.649	52%	0.517	S	S	*	.	H	α-helix	trans	-56.3	-39.6	176.7	-175.4	173.2	175.9	161.5	1.6	112.6	L433 R434 D440 E441	L433-R437 WeakPolarHBondContact O-CB 3.47Å; L433-R437 PolarHBondContact O-N 3.12Å; R434-R437 PolarHBondContact O-N 3.41Å; R437-D440 PolarHBondContact O-N 3.13Å; R437-E441 IonicContact NE-OE1 2.65Å; R437-E441 WeakPolarHBondContact O-CB 3.32Å; R437-E441 WeakPolarHBondContact O-CG 3.12Å; R437-E441 PolarHBondContact O-N 3.01Å
438	Q	76.9	Confident	76.5	Confident	96 Å²	96	111.9 Å²	111.9	45%	0.449	52%	0.518	S	S	.	.	H	α-helix	trans	-68.1	-30.4	173	-74.6	-175.8	-5.4	0	0	114	R434 R435 K436 K442	R434-Q438 WeakPolarHBondContact O-CG 3.48Å; R434-Q438 PolarHBondContact O-N 2.92Å; R435-Q438 PolarHBondContact O-N 3.01Å; K436-Q438 VanDerWaalsContact C-N 3.27Å; K436-Q438 PolarHBondContact O-N 2.93Å; Q438-K442 WeakPolarHBondContact O-CB 3.24Å; Q438-K442 VanDerWaalsContact O-CG 3.25Å; Q438-K442 WeakPolarHBondContact O-CG 3.49Å; Q438-K442 PolarHBondContact O-N 2.82Å; Q438-K442 VanDerWaalsContact O-N 3.08Å
439	Q	74.6	Confident	75.4	Confident	109 Å²	109	112.6 Å²	112.6	51%	0.509	52%	0.523	S	S	.	.	H	α-helix	trans	-70.7	-43.6	171.4	-73.4	174	-36	0	0	110.9	R435 K436 E441 K442 Q443	R435-Q439 WeakPolarHBondContact O-CG 3.31Å; R435-Q439 PolarHBondContact O-N 3.32Å; K436-Q439 CarbonylContact O-C 3.2Å; K436-Q439 WeakPolarHBondContact O-CA 3.35Å; K436-Q439 WeakPolarHBondContact O-CB 3.3Å; K436-Q439 PolarHBondContact O-N 2.97Å; Q439-E441 PolarHBondContact O-N 2.79Å; Q439-K442 CarbonylContact O-C 3.46Å; Q439-K442 PolarHBondContact O-N 2.89Å; Q439-K442 VanDerWaalsContact O-N 3.17Å; Q439-Q443 WeakPolarHBondContact O-CG 3.38Å; Q439-Q443 PolarHBondContact O-N 3.3Å
440	D	76.6	Confident	74	Confident	72 Å²	72	116.8 Å²	116.8	39%	0.385	54%	0.536	S	S	.	.	H	α-helix	trans	-61.9	-41.6	176.5	-60.9	-29.7	0	0	0	111.2	K436 R437 Q443 R444	K436-D440 PolarHBondContact O-N 2.93Å; R437-D440 PolarHBondContact O-N 3.13Å; D440-Q443 PolarHBondContact O-N 3.11Å; D440-R444 WeakPolarHBondContact O-CB 3.44Å; D440-R444 WeakPolarHBondContact O-CG 3.2Å; D440-R444 PolarHBondContact O-N 3.09Å
441	E	77.9	Confident	72.5	Confident	87 Å²	87	115.5 Å²	115.5	41%	0.407	53%	0.533	S	S	.	.	H	α-helix	trans	-65.4	-37.8	173	-76	173.2	-159.9	0	0	112.7	R437 Q439 R444 K445	R437-E441 IonicContact NE-OE1 2.65Å; R437-E441 WeakPolarHBondContact O-CB 3.32Å; R437-E441 WeakPolarHBondContact O-CG 3.12Å; R437-E441 PolarHBondContact O-N 3.01Å; Q439-E441 PolarHBondContact O-N 2.79Å; E441-R444 PolarHBondContact O-N 3.37Å; E441-K445 WeakPolarHBondContact O-CB 3.42Å; E441-K445 WeakPolarHBondContact O-CG 3.38Å; E441-K445 PolarHBondContact O-N 2.99Å
442	K	76.4	Confident	71.1	Confident	147 Å²	147	113 Å²	113	64%	0.639	53%	0.529	S	S	*	.	H	α-helix	trans	-68.8	-35.9	173.8	-77.3	172.8	-179.9	179.6	0	112.3	Q438 Q439 K445 S446	Q438-K442 WeakPolarHBondContact O-CB 3.24Å; Q438-K442 VanDerWaalsContact O-CG 3.25Å; Q438-K442 WeakPolarHBondContact O-CG 3.49Å; Q438-K442 PolarHBondContact O-N 2.82Å; Q438-K442 VanDerWaalsContact O-N 3.08Å; Q439-K442 CarbonylContact O-C 3.46Å; Q439-K442 PolarHBondContact O-N 2.89Å; Q439-K442 VanDerWaalsContact O-N 3.17Å; K442-K445 PolarHBondContact O-N 2.68Å; K442-S446 PolarHBondContact O-N 3.08Å; K442-S446 PolarHBondContact O-OG 3.19Å
443	Q	67.2	Low	69.9	Low	137 Å²	137	115 Å²	115	64%	0.64	53%	0.534	S	S	*	.	H	α-helix	trans	-69.6	-37.7	172.3	-72.1	-168	11.5	0	0	112.2	Q439 D440 S446 G447	Q439-Q443 WeakPolarHBondContact O-CG 3.38Å; Q439-Q443 PolarHBondContact O-N 3.3Å; D440-Q443 PolarHBondContact O-N 3.11Å; Q443-S446 PolarHBondContact O-N 3.5Å; Q443-S446 PolarHBondContact O-OG 3.35Å; Q443-G447 PolarHBondContact O-N 3.22Å
444	R	69.5	Low	68.4	Low	206 Å²	206	115.6 Å²	115.6	78%	0.777	54%	0.535	S	S	*	.	H	α-helix	trans	-62.3	-42.6	171.2	-77.2	178.4	172.1	-165.2	-3.5	111.9	D440 E441 G447 S448	D440-R444 WeakPolarHBondContact O-CB 3.44Å; D440-R444 WeakPolarHBondContact O-CG 3.2Å; D440-R444 PolarHBondContact O-N 3.09Å; E441-R444 PolarHBondContact O-N 3.37Å; R444-G447 PolarHBondContact O-N 3.39Å; R444-S448 WeakPolarHBondContact O-CB 3.41Å; R444-S448 PolarHBondContact O-N 2.96Å
445	K	69.1	Low	66.8	Low	147 Å²	147	113.4 Å²	113.4	64%	0.639	53%	0.531	S	S	*	.	H	α-helix	trans	-68.2	-39.6	177.2	-73.8	177.2	178.5	-179.3	0	112.9	E441 K442 S448 L449	E441-K445 WeakPolarHBondContact O-CB 3.42Å; E441-K445 WeakPolarHBondContact O-CG 3.38Å; E441-K445 PolarHBondContact O-N 2.99Å; K442-K445 PolarHBondContact O-N 2.68Å; K445-S448 PolarHBondContact O-N 3.13Å; K445-L449 PolarHBondContact O-N 3.33Å
446	S	62.2	Low	65.3	Low	61 Å²	61	114.5 Å²	114.5	43%	0.427	55%	0.547	S	S	.	.	H	α-helix	trans	-73.3	-30.6	174.2	69.2	0	0	0	0	113	K442 Q443 K450	K442-S446 PolarHBondContact O-N 3.08Å; K442-S446 PolarHBondContact O-OG 3.19Å; Q443-S446 PolarHBondContact O-N 3.5Å; Q443-S446 PolarHBondContact O-OG 3.35Å; S446-K450 WeakPolarHBondContact O-CB 3.11Å; S446-K450 WeakPolarHBondContact O-CG 3.02Å; S446-K450 PolarHBondContact O-N 3.43Å
447	G	60	Low	63.9	Low	32 Å²	32	116.4 Å²	116.4	33%	0.33	56%	0.555	S	S	.	*	H	α-helix	trans	-66.1	-41.8	170	0	0	0	0	0	112.7	Q443 R444 K450 K451	Q443-G447 PolarHBondContact O-N 3.22Å; R444-G447 PolarHBondContact O-N 3.39Å; G447-K450 PolarHBondContact O-N 3.41Å; G447-K451 PolarHBondContact O-N 2.91Å
448	S	59.4	Low	62.7	Low	60 Å²	60	117.8 Å²	117.8	42%	0.42	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-48.6	171.5	170.4	0	0	0	0	111.3	R444 K445 K450 K451 N452	R444-S448 WeakPolarHBondContact O-CB 3.41Å; R444-S448 PolarHBondContact O-N 2.96Å; K445-S448 PolarHBondContact O-N 3.13Å; S448-K450 VanDerWaalsContact C-N 3.27Å; S448-K450 PolarHBondContact O-N 3.36Å; S448-K451 CarbonylContact O-C 3.6Å; S448-K451 WeakPolarHBondContact O-CA 3.39Å; S448-K451 WeakPolarHBondContact O-CB 3.05Å; S448-K451 PolarHBondContact O-N 3.19Å; S448-N452 PolarHBondContact O-N 2.9Å; S448-N452 PolarHBondContact O-OD1 3.41Å; S448-N452 PolarHBondContact OG-OD1 3.27Å
449	L	61.3	Low	61	Low	111 Å²	111	116.7 Å²	116.7	58%	0.581	58%	0.575	S	S	*	*	H	α-helix	trans	-56.4	-40.4	174.2	-91.1	158.3	0	0	0	112.6	K445 I453	K445-L449 PolarHBondContact O-N 3.33Å; L449-I453 WeakPolarHBondContact O-CB 3.45Å; L449-I453 WeakPolarHBondContact O-CD1 3.42Å; L449-I453 WeakPolarHBondContact O-CG1 3.41Å; L449-I453 PolarHBondContact O-N 3.33Å
450	K	55.7	Low	59.3	Low	147 Å²	147	120.2 Å²	120.2	64%	0.639	59%	0.592	S	S	*	*	H	α-helix	trans	-66.7	-34.9	173.2	-77.2	-178.3	175.3	-170.9	0	113.4	S446 G447 S448 M454	S446-K450 WeakPolarHBondContact O-CB 3.11Å; S446-K450 WeakPolarHBondContact O-CG 3.02Å; S446-K450 PolarHBondContact O-N 3.43Å; G447-K450 PolarHBondContact O-N 3.41Å; S448-K450 VanDerWaalsContact C-N 3.27Å; S448-K450 PolarHBondContact O-N 3.36Å; K450-M454 VanDerWaalsContact O-CE 3.3Å; K450-M454 WeakPolarHBondContact O-CE 3.36Å; K450-M454 WeakPolarHBondContact O-CG 3.24Å; K450-M454 PolarHBondContact O-N 3.48Å; K450-M454 VanDerWaalsContact O-N 3.14Å
451	K	58	Low	57.3	Low	121 Å²	121	125.1 Å²	125.1	53%	0.526	61%	0.613	S	S	.	*	H	α-helix	trans	-65.9	-54.2	172.4	-90.5	-179	147.6	-93.5	0	111.3	G447 S448 I453 M454 E455	G447-K451 PolarHBondContact O-N 2.91Å; S448-K451 CarbonylContact O-C 3.6Å; S448-K451 WeakPolarHBondContact O-CA 3.39Å; S448-K451 WeakPolarHBondContact O-CB 3.05Å; S448-K451 PolarHBondContact O-N 3.19Å; K451-I453 PolarHBondContact O-N 2.83Å; K451-I453 VanDerWaalsContact O-N 3.16Å; K451-M454 CarbonylContact O-C 3.59Å; K451-M454 WeakPolarHBondContact O-CA 3.22Å; K451-M454 PolarHBondContact O-N 2.91Å; K451-E455 IonicContact NZ-OE1 2.61Å; K451-E455 PolarHBondContact NZ-OE1 3.29Å; K451-E455 WeakPolarHBondContact O-CB 3.22Å; K451-E455 WeakPolarHBondContact O-CG 3.39Å; K451-E455 PolarHBondContact O-N 3.04Å
452	N	55.6	Low	55.4	Low	83 Å²	83	129.3 Å²	129.3	44%	0.444	64%	0.637	S	S	.	*	H	α-helix	trans	-56.6	-35.5	178.3	-64.7	43.4	0	0	0	112.1	S448 L456	S448-N452 PolarHBondContact O-N 2.9Å; S448-N452 PolarHBondContact O-OD1 3.41Å; S448-N452 PolarHBondContact OG-OD1 3.27Å; N452-L456 VanDerWaalsContact O-CB 3.3Å; N452-L456 WeakPolarHBondContact O-CB 3.23Å; N452-L456 WeakPolarHBondContact O-CG 3.33Å; N452-L456 PolarHBondContact O-N 3.38Å
453	I	55.9	Low	53.4	Low	113 Å²	113	131.6 Å²	131.6	58%	0.579	65%	0.65	S	S	*	*	H	α-helix	trans	-74	-23.2	175.3	-70.7	168.3	0	0	0	113.1	L449 K451	L449-I453 WeakPolarHBondContact O-CB 3.45Å; L449-I453 WeakPolarHBondContact O-CD1 3.42Å; L449-I453 WeakPolarHBondContact O-CG1 3.41Å; L449-I453 PolarHBondContact O-N 3.33Å; K451-I453 PolarHBondContact O-N 2.83Å; K451-I453 VanDerWaalsContact O-N 3.16Å
454	M	50.1	Low	51.7	Low	120 Å²	120	128.9 Å²	128.9	59%	0.591	66%	0.658	S	S	*	*	H	α-helix	trans	-86.4	-40	170.6	-77.3	-175.4	-72.5	0	0	112.2	K450 K451 L456 K457 Y458	K450-M454 VanDerWaalsContact O-CE 3.3Å; K450-M454 WeakPolarHBondContact O-CE 3.36Å; K450-M454 WeakPolarHBondContact O-CG 3.24Å; K450-M454 PolarHBondContact O-N 3.48Å; K450-M454 VanDerWaalsContact O-N 3.14Å; K451-M454 CarbonylContact O-C 3.59Å; K451-M454 WeakPolarHBondContact O-CA 3.22Å; K451-M454 PolarHBondContact O-N 2.91Å; M454-L456 VanDerWaalsContact C-N 3.33Å; M454-L456 PolarHBondContact O-N 2.66Å; M454-K457 CarbonylContact O-C 3.13Å; M454-K457 WeakPolarHBondContact O-CA 3.45Å; M454-K457 WeakPolarHBondContact O-CB 3.34Å; M454-K457 PolarHBondContact O-N 3.03Å; M454-Y458 PolarHBondContact O-N 3.1Å
455	E	50.8	Low	49.8	Very low	98 Å²	98	122.4 Å²	122.4	46%	0.458	66%	0.656	S	S	.	*	H	α-helix	trans	-66.3	-33.9	178.7	-71.2	157.5	-172.1	0	0	110.9	K451 K457	K451-E455 IonicContact NZ-OE1 2.61Å; K451-E455 PolarHBondContact NZ-OE1 3.29Å; K451-E455 WeakPolarHBondContact O-CB 3.22Å; K451-E455 WeakPolarHBondContact O-CG 3.39Å; K451-E455 PolarHBondContact O-N 3.04Å; E455-K457 PolarHBondContact O-N 3.19Å
456	L	51.9	Low	48	Very low	162 Å²	162	121.4 Å²	121.4	85%	0.848	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	0.9	166.7	-80.5	168.8	0	0	0	114.9	N452 M454	N452-L456 VanDerWaalsContact O-CB 3.3Å; N452-L456 WeakPolarHBondContact O-CB 3.23Å; N452-L456 WeakPolarHBondContact O-CG 3.33Å; N452-L456 PolarHBondContact O-N 3.38Å; M454-L456 VanDerWaalsContact C-N 3.33Å; M454-L456 PolarHBondContact O-N 2.66Å
457	K	52.1	Low	46.6	Very low	163 Å²	163	125.8 Å²	125.8	71%	0.709	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	-26.1	-175.6	-158.4	168.7	-172.4	176.2	0	114	M454 E455	M454-K457 CarbonylContact O-C 3.13Å; M454-K457 WeakPolarHBondContact O-CA 3.45Å; M454-K457 WeakPolarHBondContact O-CB 3.34Å; M454-K457 PolarHBondContact O-N 3.03Å; E455-K457 PolarHBondContact O-N 3.19Å
458	Y	54.7	Low	45.1	Very low	202 Å²	202	129.3 Å²	129.3	79%	0.792	70%	0.698	S	S	*	*	S	Bend	trans	-155.1	113.3	172.4	-72.1	-83.9	0	0	0	107.8	M454	M454-Y458 PolarHBondContact O-N 3.1Å
459	G	42.2	Very low	43.7	Very low	72 Å²	72	137.1 Å²	137.1	74%	0.742	72%	0.719	S	S	*	*			trans	155.8	36.8	179	0	0	0	0	0	117.7
460	Q	38.4	Very low	42.2	Very low	184 Å²	184	139.3 Å²	139.3	86%	0.86	73%	0.728	S	S	*	*			trans	-103.9	153.7	157.3	-170.4	167.5	-6	0	0	108.5
461	E	34.7	Very low	40.9	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	74%	0.737	S	S	*	*			trans	87.4	150.2	177.9	-53	-169	165.4	0	0	118.7
462	L	37.8	Very low	39.6	Very low	174 Å²	174	141.1 Å²	141.1	91%	0.911	75%	0.753	S	S	*	*			trans	77.6	123.7	171.9	-68.3	159.4	0	0	0	118.9
463	E	34.3	Very low	38.4	Very low	196 Å²	196	146.2 Å²	146.2	92%	0.916	77%	0.772	S	S	*	*			trans	-100.5	171	-170	-57.3	164.4	96.8	0	0	112.6
464	G	31.9	Very low	37.2	Very low	79 Å²	79	149.7 Å²	149.7	81%	0.814	79%	0.785	S	S	*	*			trans	115.1	135.6	143.3	0	0	0	0	0	118.5
465	G	30.3	Very low	36.3	Very low	70 Å²	70	151 Å²	151	72%	0.722	79%	0.794	S	S	*	*			trans	89.5	81.5	141.3	0	0	0	0	0	119.8
466	T	30.6	Very low	35.5	Very low	126 Å²	126	152.8 Å²	152.8	77%	0.773	81%	0.811	S	S	*	*			trans	33.1	110.5	132.3	54.2	0	0	0	0	121.8
467	I	33.2	Very low	34.4	Very low	154 Å²	154	149.7 Å²	149.7	79%	0.79	81%	0.809	S	S	*	*				71.5	141.4	120	-67.9	169.7	0	0	0	121.4
468	S	29.2	Very low	33.2	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	81%	0.809	S	S	*	*			trans	85.7	98	158	-80.1	0	0	0	0	122.6
469	R	29.8	Very low	31.9	Very low	225 Å²	225	144.6 Å²	144.6	85%	0.849	81%	0.813	S	S	*	*				34.5	130.2	114.9	-93.5	-171.7	166.6	-173	-2.3	121.4
470	M	28.2	Very low	31.3	Very low	157 Å²	157	147.1 Å²	147.1	77%	0.773	82%	0.82	S	S	*	*				99	134	127.5	-78.6	178.6	71.8	0	0	122.6
471	S	30	Very low	30.9	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	82%	0.823	S	S	*	*			trans	69.9	122.2	149.4	-146.9	0	0	0	0	120.1
472	Q	30	Very low	30.6	Very low	188 Å²	188	143.6 Å²	143.6	88%	0.879	82%	0.822	S	S	*	*			trans	-105.1	105.8	176.6	-176.2	172.9	-7.7	0	0	111.8
473	K	31.1	Very low	30	Very low	191 Å²	191	147 Å²	147	83%	0.83	82%	0.823	S	S	*	*			trans	13.5	127.7	154.1	-69.4	-172.7	174.6	-176.5	0	121.3
474	Q	30.4	Very low	29.5	Very low	185 Å²	185	146 Å²	146	86%	0.864	82%	0.82	S	S	*	*			trans	-68.7	163.2	147.5	-179.9	-178.4	1.8	0	0	112.4
475	L	29.8	Very low	30.3	Very low	149 Å²	149	146.8 Å²	146.8	78%	0.78	81%	0.811	S	S	*	*			trans	-148.6	153.7	170.6	-72.2	174	0	0	0	108.1
476	V	34.3	Very low	30.1	Very low	134 Å²	134	153.8 Å²	153.8	81%	0.812	82%	0.817	S	S	*	*			cis	-168.5	157.3	-25.1	78.9	0	0	0	0	105
477	A	28.4	Very low	29.9	Very low	98 Å²	98	155.4 Å²	155.4	81%	0.81	82%	0.82	S	S	*	*			cis	-130.6	-143.9	6.5	0	0	0	0	0	109.1
478	G	27.3	Very low	30.3	Very low	67 Å²	67	154 Å²	154	69%	0.691	82%	0.821	S	S	*	*			cis	-168.8	137.9	-1.6	0	0	0	0	0	114.3
479	E	28.3	Very low	30.3	Very low	191 Å²	191	154 Å²	154	89%	0.893	82%	0.821	S	S	*	*			trans	26	122.5	161.1	-54.7	-168.2	141	0	0	123.6
480	S	29.4	Very low	30.5	Very low	125 Å²	125	148 Å²	148	87%	0.874	82%	0.819	S	S	*	*				-166.7	165.8	111.4	32.8	0	0	0	0	110.8
481	M	28.8	Very low	30.4	Very low	187 Å²	187	145.8 Å²	145.8	92%	0.921	82%	0.82	S	S	*	*			trans	-109.9	148.7	-164.2	-57.4	-178.6	-178.5	0	0	114.9
482	A	29.1	Very low	30.3	Very low	98 Å²	98	149 Å²	149	81%	0.81	82%	0.821	S	S	*	*			trans	-173.9	113.6	133.2	0	0	0	0	0	116
483	R	25.4	Very low	30.1	Very low	246 Å²	246	147.2 Å²	147.2	93%	0.928	82%	0.815	S	S	*	*				53.2	108.4	124.3	-146.1	163.1	-165.8	153.5	3.1	122.3
484	M	24.3	Very low	29.9	Very low	175 Å²	175	144.8 Å²	144.8	86%	0.862	81%	0.807	S	S	*	*			trans	-74.2	-174.5	150	-75.1	-176.6	167.2	0	0	111.8
485	P	49.2	Very low	29.8	Very low	95 Å²	95	142 Å²	142	62%	0.617	79%	0.794	S	S	*	*			cis	-134.2	-179.9	-5	21	5.4	0	0	0	115.7
486	Y	24.8	Very low	29.6	Very low	217 Å²	217	144 Å²	144	85%	0.851	79%	0.792	S	S	*	*				159.6	164.1	120.9	-94.7	-73.9	0	0	0	116.5
487	L	27.7	Very low	29.2	Very low	159 Å²	159	145.3 Å²	145.3	83%	0.832	79%	0.787	S	S	*	*			trans	-85.7	-177.5	172.5	-75	156.4	0	0	0	110.6
488	P	40	Very low	29.1	Very low	126 Å²	126	148.7 Å²	148.7	82%	0.818	78%	0.784	S	S	*	*			cis	-140.4	-117.5	18	42	-17.9	0	0	0	116.5
489	S	29.9	Very low	29	Very low	103 Å²	103	153.1 Å²	153.1	72%	0.72	79%	0.787	S	S	*	*			trans	-141.8	153.3	-139.9	56.9	0	0	0	0	118.1
490	A	34.2	Very low	29	Very low	99 Å²	99	150.1 Å²	150.1	82%	0.818	77%	0.772	S	S	*	*			trans	65.8	137.5	139	0	0	0	0	0	123.9
491	S	26.9	Very low	28.9	Very low	112 Å²	112	151.5 Å²	151.5	78%	0.783	77%	0.768	S	S	*	*			trans	-179.7	150.4	166.1	55.9	0	0	0	0	110.7
492	E	27.5	Very low	28.8	Very low	183 Å²	183	147 Å²	147	86%	0.855	76%	0.755	S	S	*	*			cis	-160.5	-105	-22.9	-165.1	138.4	-81.6	0	0	113.2
493	M	25.5	Very low	28.6	Very low	152 Å²	152	151.2 Å²	151.2	75%	0.749	76%	0.758	S	S	*	*			trans	-137.5	171.7	-168.7	-78.2	163.7	54.6	0	0	111.1
494	E	27.5	Very low	28.7	Very low	140 Å²	140	145.7 Å²	145.7	65%	0.654	75%	0.752	S	S	*	*			cis	-165.7	179.9	-4.7	-121.3	-161.8	118.1	0	0	106.9
495	Q	28.5	Very low	29.9	Very low	126 Å²	126	142.3 Å²	142.3	59%	0.589	74%	0.743	S	S	*	*			cis	-167.9	162.4	-20.3	-159.9	-145.4	106.8	0	0	107.9
496	Y	25.7	Very low	28.9	Very low	191 Å²	191	147 Å²	147	75%	0.749	75%	0.754	S	S	*	*				172.8	128.7	127.7	-114.9	-103.9	0	0	0	114.2
497	K	25.2	Very low	29	Very low	161 Å²	161	145.5 Å²	145.5	70%	0.7	76%	0.757	S	S	*	*			trans	40.3	118.9	157.4	-69.2	-171.8	176.4	-172.8	0	121.7
498	F	25	Very low	29	Very low	170 Å²	170	145 Å²	145	75%	0.746	75%	0.752	S	S	*	*				72.2	137.1	80	-96.1	-96.2	0	0	0	114.2
499	Q	26.2	Very low	28.5	Very low	160 Å²	160	148.3 Å²	148.3	75%	0.748	75%	0.754	S	S	*	*			cis	-162.1	154.3	27.5	-171	165.9	10.7	0	0	108.2
500	E	28.1	Very low	28.4	Very low	127 Å²	127	147 Å²	147	59%	0.593	76%	0.756	S	S	*	*			cis	-178.9	-159.1	-13.7	-176.8	161.4	-128.1	0	0	108
501	I	27.8	Very low	28.1	Very low	154 Å²	154	150.1 Å²	150.1	79%	0.79	76%	0.759	S	S	*	*			trans	73.3	139.9	162	-67.5	174.9	0	0	0	117.1
502	S	25.9	Very low	28.1	Very low	93 Å²	93	155.9 Å²	155.9	65%	0.65	77%	0.765	S	S	*	*			cis	-167.3	146.5	-19.3	57.7	0	0	0	0	114
503	E	25.9	Very low	28.1	Very low	187 Å²	187	154.2 Å²	154.2	87%	0.874	76%	0.759	S	S	*	*			trans	66.6	162.2	147.6	-70.6	-174	-179	0	0	124.7
504	T	28	Very low	28.2	Very low	130 Å²	130	152.7 Å²	152.7	80%	0.798	75%	0.754	S	S	*	*			trans	-152.9	-170.9	-174.6	70.3	0	0	0	0	108
505	P	47.6	Very low	28.2	Very low	103 Å²	103	152.9 Å²	152.9	67%	0.669	77%	0.765	S	S	*	*			cis	-138.1	-172.5	-13.4	41.4	-22.2	0	0	0	115.4
506	K	29.9	Very low	28.1	Very low	195 Å²	195	156.7 Å²	156.7	85%	0.848	77%	0.774	S	S	*	*			trans	40	126.4	148.6	-70.8	171.3	-179.3	174.8	0	122.6
507	M	26.8	Very low	28.2	Very low	184 Å²	184	153 Å²	153	91%	0.906	78%	0.776	S	S	*	*			trans	174.7	-175.1	133.5	-101.1	177.3	70.4	0	0	110.1
508	M	26.5	Very low	28.1	Very low	149 Å²	149	153.1 Å²	153.1	73%	0.734	78%	0.781	S	S	*	*				-167.4	127.1	-66.2	168.7	163.6	159.2	0	0	110
509	K	30.1	Very low	28.2	Very low	196 Å²	196	150.8 Å²	150.8	85%	0.852	78%	0.776	S	S	*	*			trans	20.9	118.4	153.3	-169.2	-177.8	-175.2	-178.9	0	119.5
510	G	27.3	Very low	28.3	Very low	75 Å²	75	152 Å²	152	77%	0.773	78%	0.781	S	S	*	*			trans	-157.1	123.2	163.4	0	0	0	0	0	114.1
511	N	28.1	Very low	28.2	Very low	164 Å²	164	152.9 Å²	152.9	88%	0.877	79%	0.785	S	S	*	*			trans	-96.3	149.9	162.6	-78.3	10.8	0	0	0	108.8
512	Y	26.4	Very low	28.3	Very low	234 Å²	234	152 Å²	152	92%	0.918	78%	0.777	S	S	*	*			trans	-141.7	162	152.6	-151.2	-97.2	0	0	0	110.5
513	M	27.7	Very low	28.4	Very low	148 Å²	148	157 Å²	157	73%	0.729	78%	0.782	S	S	*	*			trans	-135.1	154.9	-166	-166.2	-170.9	-60.3	0	0	111.5
514	D	27.8	Very low	28.5	Very low	120 Å²	120	157.2 Å²	157.2	64%	0.642	78%	0.775	S	S	*	*			trans	63.6	133.7	166.2	-84.3	-5.4	0	0	0	119.3
515	V	28.5	Very low	28.5	Very low	144 Å²	144	157.6 Å²	157.6	87%	0.873	77%	0.768	S	S	*	*				-158.2	150.9	97.8	147.1	0	0	0	0	109.1
516	R	26	Very low	27.6	Very low	206 Å²	206	158.5 Å²	158.5	78%	0.777	78%	0.775	S	S	*	*			trans	-94.1	152.7	-177.1	-71.4	179.8	167.8	101.4	-9.6	113.8
517	S	26.5	Very low	27.4	Very low	114 Å²	114	155.6 Å²	155.6	80%	0.797	77%	0.769	S	S	*	*			trans	-154.7	128.1	133.3	-72.5	0	0	0	0	106.2
518	M	25.2	Very low	27.4	Very low	163 Å²	163	154.6 Å²	154.6	80%	0.803	76%	0.764	S	S	*	*				56.8	131.5	64.5	-74.3	-167.8	71.6	0	0	113.7
519	D	26.1	Very low	27.4	Very low	121 Å²	121	150.8 Å²	150.8	65%	0.647	76%	0.763	S	S	*	*			cis	-169.3	150.2	-23.5	-135.2	-40.2	0	0	0	108.2
520	H	28.4	Very low	27.5	Very low	186 Å²	186	150.8 Å²	150.8	86%	0.861	77%	0.768	S	S	*	*			trans	-170	129.8	152.1	-116.8	-71.4	0	0	0	116.1
521	H	26.6	Very low	27.9	Very low	144 Å²	144	152.3 Å²	152.3	67%	0.667	77%	0.774	S	S	*	*			trans	-62.7	163	161.4	-80.7	-132.8	0	0	0	112
522	E	29.1	Very low	28.1	Very low	135 Å²	135	147.6 Å²	147.6	63%	0.631	76%	0.764	S	S	*	*			cis	-165.4	178.9	15.3	-141.6	171	-115.4	0	0	115.5
523	R	27.2	Very low	28.7	Very low	198 Å²	198	144.2 Å²	144.2	75%	0.747	76%	0.762	S	S	*	*			trans	91.1	102.5	151	-76.3	-176.3	178.1	-158.4	-3.1	121.4
524	R	29.1	Very low	29.2	Very low	193 Å²	193	142.4 Å²	142.4	73%	0.728	76%	0.763	S	S	*	*				57.3	142.5	109	-67.1	172.2	-173.8	-124.7	9.6	119.1
525	E	28	Very low	29.7	Very low	137 Å²	137	145.2 Å²	145.2	64%	0.64	77%	0.773	S	S	*	*			cis	-159.3	138.3	9	-126.6	151.6	-148.5	0	0	111.5
526	C	28.7	Very low	30.3	Very low	122 Å²	122	140.4 Å²	140.4	82%	0.824	75%	0.752	S	S	*	*			trans	51.7	167	154.5	-59.4	0	0	0	0	121.9
527	D	25.6	Very low	31.3	Very low	134 Å²	134	133.6 Å²	133.6	72%	0.717	74%	0.736	S	S	*	*			cis	-169.4	160.8	-48.8	-153.5	21.5	0	0	0	105.9
528	M	27.1	Very low	32.3	Very low	163 Å²	163	133.3 Å²	133.3	80%	0.803	73%	0.729	S	S	*	*			cis	-152.9	160.4	1.9	-162.6	-164.2	-71.4	0	0	108.1
529	G	26.1	Very low	33.5	Very low	70 Å²	70	128.4 Å²	128.4	72%	0.722	72%	0.715	S	S	*	*			trans	169.8	94.4	164.3	0	0	0	0	0	119.4
530	M	31.2	Very low	34.7	Very low	195 Å²	195	128.9 Å²	128.9	96%	0.961	71%	0.713	S	S	*	*			trans	33.6	123.1	151.6	-77.9	-70.5	172.7	0	0	121.3
531	A	37.2	Very low	36	Very low	108 Å²	108	125.3 Å²	125.3	89%	0.893	70%	0.7	S	S	*	*			trans	-78	153.6	174.7	0	0	0	0	0	114.5
532	G	32.8	Very low	37.2	Very low	64 Å²	64	121.4 Å²	121.4	66%	0.66	69%	0.688	S	S	*	*			trans	-148	128.9	175.2	0	0	0	0	0	113.6	S534	G532-S534 PolarHBondContact O-N 2.98Å; G532-S534 VanDerWaalsContact O-N 3.16Å
533	N	38.8	Very low	38.8	Very low	163 Å²	163	118.6 Å²	118.6	87%	0.872	68%	0.681	S	S	*	*			trans	-43.3	105.1	-170.1	-73	-17.1	0	0	0	117.2	Q535	N533-Q535 PolarHBondContact O-N 2.79Å
534	S	37.7	Very low	40.3	Very low	110 Å²	110	114.5 Å²	114.5	77%	0.769	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	36.4	174.6	-40.5	0	0	0	0	114.8	G532	G532-S534 PolarHBondContact O-N 2.98Å; G532-S534 VanDerWaalsContact O-N 3.16Å
535	Q	38.8	Very low	41.6	Very low	179 Å²	179	107.6 Å²	107.6	84%	0.836	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	-6.2	-179.1	-76.7	-170	-17	0	0	115.7	N533	N533-Q535 PolarHBondContact O-N 2.79Å
536	G	41	Very low	43	Very low	43 Å²	43	107.7 Å²	107.7	44%	0.443	66%	0.655	S	S	.	*	S	Bend	trans	-74.8	-43.1	176	0	0	0	0	0	113.8	V538 A539	G536-V538 PolarHBondContact O-N 3.42Å; G536-A539 PolarHBondContact O-N 3.38Å
537	S	46.9	Very low	45	Very low	63 Å²	63	106.7 Å²	106.7	44%	0.441	64%	0.638	S	S	.	*	H	α-helix	trans	-64.3	-39.1	-166.9	51.5	0	0	0	0	114.7	A539 E540 I541	S537-A539 VanDerWaalsContact C-N 3.31Å; S537-A539 PolarHBondContact O-N 3.37Å; S537-E540 PolarHBondContact O-N 3.41Å; S537-I541 WeakPolarHBondContact O-CB 3.48Å; S537-I541 WeakPolarHBondContact O-CD1 3.31Å; S537-I541 VanDerWaalsContact O-CG1 3.24Å; S537-I541 WeakPolarHBondContact O-CG1 3.48Å; S537-I541 PolarHBondContact O-N 3.3Å
538	V	47.3	Very low	47.2	Very low	108 Å²	108	103.9 Å²	103.9	66%	0.655	63%	0.625	S	S	*	*	H	α-helix	trans	-64.6	-36.5	-175	-175.9	0	0	0	0	111.6	G536 S542	G536-V538 PolarHBondContact O-N 3.42Å; V538-S542 PolarHBondContact O-N 2.69Å
539	A	49	Very low	49.1	Very low	61 Å²	61	101.1 Å²	101.1	50%	0.504	61%	0.614	S	S	.	*	H	α-helix	trans	-67.5	-46.7	176.7	0	0	0	0	0	111.4	G536 S537 S542 T543	G536-A539 PolarHBondContact O-N 3.38Å; S537-A539 VanDerWaalsContact C-N 3.31Å; S537-A539 PolarHBondContact O-N 3.37Å; A539-S542 PolarHBondContact O-N 2.94Å; A539-S542 PolarHBondContact O-OG 3.37Å; A539-T543 PolarHBondContact O-N 2.97Å
540	E	51.3	Low	51.2	Low	130 Å²	130	102.4 Å²	102.4	61%	0.607	60%	0.6	S	S	*	*	H	α-helix	trans	-66.9	-39.9	-179.1	-64.4	-178.4	151.5	0	0	112.4	S537 S542 T543 I544	S537-E540 PolarHBondContact O-N 3.41Å; E540-S542 VanDerWaalsContact C-N 3.27Å; E540-S542 PolarHBondContact O-N 2.91Å; E540-T543 PolarHBondContact O-N 2.81Å; E540-T543 PolarHBondContact O-OG1 2.82Å; E540-I544 WeakPolarHBondContact O-CG1 3.45Å; E540-I544 PolarHBondContact O-N 3.17Å
541	I	55.4	Low	53.2	Low	112 Å²	112	97 Å²	97	57%	0.574	58%	0.577	S	S	*	*	H	α-helix	trans	-61	-38.8	173.9	-67.4	164	0	0	0	110.6	S537 T543 I544 A545	S537-I541 WeakPolarHBondContact O-CB 3.48Å; S537-I541 WeakPolarHBondContact O-CD1 3.31Å; S537-I541 VanDerWaalsContact O-CG1 3.24Å; S537-I541 WeakPolarHBondContact O-CG1 3.48Å; S537-I541 PolarHBondContact O-N 3.3Å; I541-T543 VanDerWaalsContact C-N 3.34Å; I541-T543 PolarHBondContact O-N 3.4Å; I541-I544 PolarHBondContact O-N 3.49Å; I541-A545 PolarHBondContact O-N 3.42Å
542	S	53.7	Low	54.3	Low	61 Å²	61	95.4 Å²	95.4	43%	0.427	55%	0.554	S	S	.	*	H	α-helix	trans	-68.2	-28.4	177.6	83.6	0	0	0	0	114	V538 A539 E540 K546	V538-S542 PolarHBondContact O-N 2.69Å; A539-S542 PolarHBondContact O-N 2.94Å; A539-S542 PolarHBondContact O-OG 3.37Å; E540-S542 VanDerWaalsContact C-N 3.27Å; E540-S542 PolarHBondContact O-N 2.91Å; S542-K546 PolarHBondContact O-N 3.4Å
543	T	61.6	Low	56.2	Low	77 Å²	77	98.3 Å²	98.3	47%	0.472	55%	0.55	S	S	.	*	H	α-helix	trans	-79.3	-38.9	174.7	56.4	0	0	0	0	111.3	A539 E540 I541 A545 K546 E547	A539-T543 PolarHBondContact O-N 2.97Å; E540-T543 PolarHBondContact O-N 2.81Å; E540-T543 PolarHBondContact O-OG1 2.82Å; I541-T543 VanDerWaalsContact C-N 3.34Å; I541-T543 PolarHBondContact O-N 3.4Å; T543-A545 PolarHBondContact O-N 2.98Å; T543-K546 PolarHBondContact O-N 2.78Å; T543-E547 PolarHBondContact O-N 2.78Å
544	I	58.8	Low	58	Low	111 Å²	111	95.4 Å²	95.4	57%	0.569	53%	0.534	S	S	*	.	H	α-helix	trans	-60.4	-46.1	175.3	-66.4	164.6	0	0	0	110.7	E540 I541 K546 E547 V548	E540-I544 WeakPolarHBondContact O-CG1 3.45Å; E540-I544 PolarHBondContact O-N 3.17Å; I541-I544 PolarHBondContact O-N 3.49Å; I544-K546 VanDerWaalsContact C-N 3.34Å; I544-K546 PolarHBondContact O-N 3.24Å; I544-E547 PolarHBondContact O-N 2.83Å; I544-V548 WeakPolarHBondContact O-CG2 3.08Å; I544-V548 PolarHBondContact O-N 3.09Å
545	A	56.7	Low	59.7	Low	48 Å²	48	94.2 Å²	94.2	40%	0.397	52%	0.518	S	S	.	.	H	α-helix	trans	-56.5	-45.9	174.9	0	0	0	0	0	112.1	I541 T543 E547 V548 D549	I541-A545 PolarHBondContact O-N 3.42Å; T543-A545 PolarHBondContact O-N 2.98Å; A545-E547 PolarHBondContact O-N 3.11Å; A545-V548 PolarHBondContact O-N 2.85Å; A545-D549 PolarHBondContact O-N 2.99Å
546	K	58.1	Low	61.3	Low	140 Å²	140	90 Å²	90	61%	0.609	50%	0.501	S	S	*	.	H	α-helix	trans	-65.3	-31.4	178.1	-81.4	-179.5	174.6	177	0	114.4	S542 T543 I544 K550	S542-K546 PolarHBondContact O-N 3.4Å; T543-K546 PolarHBondContact O-N 2.78Å; I544-K546 VanDerWaalsContact C-N 3.34Å; I544-K546 PolarHBondContact O-N 3.24Å; K546-K550 WeakPolarHBondContact O-CD 3.34Å; K546-K550 VanDerWaalsContact O-CG 3.28Å; K546-K550 WeakPolarHBondContact O-CG 3.31Å; K546-K550 PolarHBondContact O-N 2.89Å
547	E	70.6	Confident	62.8	Low	100 Å²	100	92.7 Å²	92.7	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-76.4	-33	172.6	-58.8	-45	128.2	0	0	112.1	T543 I544 A545 K550 V551	T543-E547 PolarHBondContact O-N 2.78Å; I544-E547 PolarHBondContact O-N 2.83Å; A545-E547 PolarHBondContact O-N 3.11Å; E547-K550 PolarHBondContact O-N 2.99Å; E547-K550 IonicContact OE1-NZ 3.55Å; E547-K550 PolarHBondContact OE1-NZ 3.06Å; E547-K550 WeakPolarHBondContact OE2-CD 3.24Å; E547-K550 IonicContact OE2-NZ 3.25Å; E547-K550 PolarHBondContact OE2-NZ 2.57Å; E547-V551 WeakPolarHBondContact O-CG2 3.46Å; E547-V551 PolarHBondContact O-N 2.75Å
548	V	71.1	Confident	63.9	Low	75 Å²	75	93 Å²	93	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-45.6	171.8	170.8	0	0	0	0	111.2	I544 A545 K550 V551 N552	I544-V548 WeakPolarHBondContact O-CG2 3.08Å; I544-V548 PolarHBondContact O-N 3.09Å; A545-V548 PolarHBondContact O-N 2.85Å; V548-K550 VanDerWaalsContact C-N 3.33Å; V548-K550 PolarHBondContact O-N 3.09Å; V548-V551 PolarHBondContact O-N 2.98Å; V548-V551 VanDerWaalsContact O-N 3.14Å; V548-N552 PolarHBondContact O-N 3.12Å; V548-N552 PolarHBondContact O-ND2 3.3Å
549	D	65.9	Low	65.4	Low	105 Å²	105	91.5 Å²	91.5	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-62	-38.9	177	-72.8	-28.2	0	0	0	112.3	A545 N552 Q553	A545-D549 PolarHBondContact O-N 2.99Å; D549-N552 PolarHBondContact O-N 2.85Å; D549-Q553 WeakPolarHBondContact O-CB 3.46Å; D549-Q553 PolarHBondContact O-N 2.95Å
550	K	70.8	Confident	66.4	Low	97 Å²	97	92.6 Å²	92.6	42%	0.422	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-42	172.2	-75.5	164	174.8	174.5	0	112.4	K546 E547 V548 N552 Q553 I554	K546-K550 WeakPolarHBondContact O-CD 3.34Å; K546-K550 VanDerWaalsContact O-CG 3.28Å; K546-K550 WeakPolarHBondContact O-CG 3.31Å; K546-K550 PolarHBondContact O-N 2.89Å; E547-K550 PolarHBondContact O-N 2.99Å; E547-K550 IonicContact OE1-NZ 3.55Å; E547-K550 PolarHBondContact OE1-NZ 3.06Å; E547-K550 WeakPolarHBondContact OE2-CD 3.24Å; E547-K550 IonicContact OE2-NZ 3.25Å; E547-K550 PolarHBondContact OE2-NZ 2.57Å; V548-K550 VanDerWaalsContact C-N 3.33Å; V548-K550 PolarHBondContact O-N 3.09Å; K550-N552 VanDerWaalsContact C-N 3.35Å; K550-Q553 PolarHBondContact O-N 3.17Å; K550-I554 WeakPolarHBondContact O-CD1 3.08Å; K550-I554 VanDerWaalsContact O-CG1 3.25Å; K550-I554 WeakPolarHBondContact O-CG1 3.46Å; K550-I554 PolarHBondContact O-N 2.7Å
551	V	73.6	Confident	67.4	Low	81 Å²	81	88.6 Å²	88.6	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-44.4	177	167.9	0	0	0	0	110.3	E547 V548 Q553 I554 I555	E547-V551 WeakPolarHBondContact O-CG2 3.46Å; E547-V551 PolarHBondContact O-N 2.75Å; V548-V551 PolarHBondContact O-N 2.98Å; V548-V551 VanDerWaalsContact O-N 3.14Å; V551-Q553 VanDerWaalsContact C-N 3.35Å; V551-Q553 PolarHBondContact O-N 3.45Å; V551-I554 PolarHBondContact O-N 3Å; V551-I555 HydrophobicContact CG1-CD1 3.87Å; V551-I555 VanDerWaalsContact O-CG1 3.3Å; V551-I555 WeakPolarHBondContact O-CG1 3.41Å; V551-I555 PolarHBondContact O-N 2.03Å
552	N	60.8	Low	67.7	Low	76 Å²	76	88.5 Å²	88.5	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-61.1	-41.5	174	-68.7	-26.3	0	0	0	112.1	V548 D549 K550 I555 N556	V548-N552 PolarHBondContact O-N 3.12Å; V548-N552 PolarHBondContact O-ND2 3.3Å; D549-N552 PolarHBondContact O-N 2.85Å; K550-N552 VanDerWaalsContact C-N 3.35Å; N552-I555 PolarHBondContact O-N 2.89Å; N552-N556 VanDerWaalsContact O-CG 3.32Å; N552-N556 PolarHBondContact O-N 2.92Å; N552-N556 PolarHBondContact O-ND2 3.44Å
553	Q	72.1	Confident	67.9	Low	124 Å²	124	91 Å²	91	58%	0.579	48%	0.484	S	S	*	.	H	α-helix	trans	-65.3	-38.4	176.1	-168.7	175.4	31.7	0	0	112.5	D549 K550 V551 N557	D549-Q553 WeakPolarHBondContact O-CB 3.46Å; D549-Q553 PolarHBondContact O-N 2.95Å; K550-Q553 PolarHBondContact O-N 3.17Å; V551-Q553 VanDerWaalsContact C-N 3.35Å; V551-Q553 PolarHBondContact O-N 3.45Å; Q553-N557 WeakPolarHBondContact O-CB 3.12Å; Q553-N557 PolarHBondContact O-N 2.91Å; Q553-N557 PolarHBondContact O-ND2 3.39Å
554	I	77.5	Confident	67.6	Low	103 Å²	103	90.6 Å²	90.6	53%	0.528	48%	0.484	S	S	.	.	H	α-helix	trans	-65.6	-43.3	174.2	-70	162.2	0	0	0	110.6	K550 V551 N557 C558	K550-I554 WeakPolarHBondContact O-CD1 3.08Å; K550-I554 VanDerWaalsContact O-CG1 3.25Å; K550-I554 WeakPolarHBondContact O-CG1 3.46Å; K550-I554 PolarHBondContact O-N 2.7Å; V551-I554 PolarHBondContact O-N 3Å; I554-N557 PolarHBondContact O-N 2.57Å; I554-C558 WeakPolarHBondContact O-CB 3.36Å; I554-C558 PolarHBondContact O-N 3.05Å; I554-C558 PolarHBondContact O-SG 3.26Å; I554-C558 VanDerWaalsContact O-SG 3.34Å
555	I	73	Confident	67.1	Low	84 Å²	84	91.5 Å²	91.5	43%	0.431	49%	0.486	S	S	.	.	H	α-helix	trans	-60	-47.7	176.5	-70.5	164.3	0	0	0	110.7	V551 N552 C558 I559	V551-I555 HydrophobicContact CG1-CD1 3.87Å; V551-I555 VanDerWaalsContact O-CG1 3.3Å; V551-I555 WeakPolarHBondContact O-CG1 3.41Å; V551-I555 PolarHBondContact O-N 2.03Å; N552-I555 PolarHBondContact O-N 2.89Å; I555-C558 PolarHBondContact O-N 3.17Å; I555-I559 HydrophobicContact CG2-CD1 3.81Å; I555-I559 WeakPolarHBondContact O-CG1 3.38Å; I555-I559 PolarHBondContact O-N 3.29Å
556	N	72.9	Confident	66.5	Low	90 Å²	90	93.4 Å²	93.4	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-44.3	178.3	-69.2	-20.8	0	0	0	112.1	N552 C558 I559 D560	N552-N556 VanDerWaalsContact O-CG 3.32Å; N552-N556 PolarHBondContact O-N 2.92Å; N552-N556 PolarHBondContact O-ND2 3.44Å; N556-C558 VanDerWaalsContact C-N 3.29Å; N556-C558 PolarHBondContact O-N 3.31Å; N556-I559 PolarHBondContact O-N 3.41Å; N556-I559 VanDerWaalsContact O-N 3.14Å; N556-D560 PolarHBondContact O-N 2.84Å
557	N	72.3	Confident	65.8	Low	101 Å²	101	92 Å²	92	54%	0.54	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-36.5	174.9	-72.8	-10.5	0	0	0	112.4	Q553 I554 A561	Q553-N557 WeakPolarHBondContact O-CB 3.12Å; Q553-N557 PolarHBondContact O-N 2.91Å; Q553-N557 PolarHBondContact O-ND2 3.39Å; I554-N557 PolarHBondContact O-N 2.57Å; N557-A561 VanDerWaalsContact O-CB 3.29Å; N557-A561 WeakPolarHBondContact O-CB 3.44Å; N557-A561 PolarHBondContact O-N 2.97Å
558	C	70.3	Confident	64.3	Low	70 Å²	70	90.9 Å²	90.9	47%	0.473	50%	0.503	S	S	.	.	H	α-helix	trans	-69.5	-38.5	173.9	-73.6	0	0	0	0	112.5	I554 I555 N556 A561 L562	I554-C558 WeakPolarHBondContact O-CB 3.36Å; I554-C558 PolarHBondContact O-N 3.05Å; I554-C558 PolarHBondContact O-SG 3.26Å; I554-C558 VanDerWaalsContact O-SG 3.34Å; I555-C558 PolarHBondContact O-N 3.17Å; N556-C558 VanDerWaalsContact C-N 3.29Å; N556-C558 PolarHBondContact O-N 3.31Å; C558-A561 PolarHBondContact O-N 3.08Å; C558-L562 VanDerWaalsContact O-CG 3.29Å; C558-L562 WeakPolarHBondContact O-CG 3.27Å; C558-L562 PolarHBondContact O-N 2.91Å
559	I	78.1	Confident	62.6	Low	76 Å²	76	96.6 Å²	96.6	39%	0.39	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-44.7	174.7	-72.2	165.6	0	0	0	110.5	I555 N556 L562 K563	I555-I559 HydrophobicContact CG2-CD1 3.81Å; I555-I559 WeakPolarHBondContact O-CG1 3.38Å; I555-I559 PolarHBondContact O-N 3.29Å; N556-I559 PolarHBondContact O-N 3.41Å; N556-I559 VanDerWaalsContact O-N 3.14Å; I559-L562 PolarHBondContact O-N 3.48Å; I559-K563 WeakPolarHBondContact O-CG 2.97Å; I559-K563 PolarHBondContact O-N 2.59Å
560	D	70.3	Confident	61.3	Low	84 Å²	84	100.5 Å²	100.5	45%	0.449	54%	0.537	S	S	.	.	H	α-helix	trans	-74.8	-29.6	-179.6	-67.6	-26.3	0	0	0	112.5	N556 K563 S564	N556-D560 PolarHBondContact O-N 2.84Å; D560-K563 PolarHBondContact O-N 3.07Å; D560-K563 WeakPolarHBondContact OD1-CD 3.16Å; D560-K563 WeakPolarHBondContact OD1-CE 3.43Å; D560-K563 IonicContact OD1-NZ 2.86Å; D560-K563 PolarHBondContact OD1-NZ 2.8Å; D560-S564 PolarHBondContact O-N 3.46Å
561	A	71.6	Confident	59.3	Low	45 Å²	45	99 Å²	99	37%	0.372	55%	0.549	S	S	.	.	H	α-helix	trans	-60.6	-47.6	166.7	0	0	0	0	0	111.6	N557 C558 K563 S564 E565	N557-A561 VanDerWaalsContact O-CB 3.29Å; N557-A561 WeakPolarHBondContact O-CB 3.44Å; N557-A561 PolarHBondContact O-N 2.97Å; C558-A561 PolarHBondContact O-N 3.08Å; A561-K563 VanDerWaalsContact C-N 3.31Å; A561-K563 PolarHBondContact O-N 3.17Å; A561-S564 WeakPolarHBondContact O-CA 3.24Å; A561-S564 WeakPolarHBondContact O-CB 3.41Å; A561-S564 PolarHBondContact O-N 2.78Å; A561-S564 PolarHBondContact O-OG 2.8Å; A561-E565 PolarHBondContact O-N 3.19Å
562	L	62	Low	57.1	Low	111 Å²	111	102.3 Å²	102.3	58%	0.581	57%	0.569	S	S	*	*	H	α-helix	trans	-64	-33.3	177.2	-71.1	166.3	0	0	0	112.6	C558 I559 S566	C558-L562 VanDerWaalsContact O-CG 3.29Å; C558-L562 WeakPolarHBondContact O-CG 3.27Å; C558-L562 PolarHBondContact O-N 2.91Å; I559-L562 PolarHBondContact O-N 3.48Å; L562-S566 WeakPolarHBondContact O-CB 3.31Å; L562-S566 PolarHBondContact O-N 3.21Å; L562-S566 PolarHBondContact O-OG 2.79Å
563	K	57.7	Low	55.7	Low	114 Å²	114	107.9 Å²	107.9	50%	0.496	59%	0.59	S	S	.	*	H	α-helix	trans	-65	-41.6	168.9	-69.2	173.2	-162.9	156.4	0	111.8	I559 D560 A561 S566 T567	I559-K563 WeakPolarHBondContact O-CG 2.97Å; I559-K563 PolarHBondContact O-N 2.59Å; D560-K563 PolarHBondContact O-N 3.07Å; D560-K563 WeakPolarHBondContact OD1-CD 3.16Å; D560-K563 WeakPolarHBondContact OD1-CE 3.43Å; D560-K563 IonicContact OD1-NZ 2.86Å; D560-K563 PolarHBondContact OD1-NZ 2.8Å; A561-K563 VanDerWaalsContact C-N 3.31Å; A561-K563 PolarHBondContact O-N 3.17Å; K563-S566 WeakPolarHBondContact CA-OG 3Å; K563-S566 PolarHBondContact O-N 2.88Å; K563-S566 PolarHBondContact O-OG 3.01Å; K563-S566 VanDerWaalsContact O-OG 3.1Å; K563-T567 PolarHBondContact O-N 2.85Å; K563-T567 PolarHBondContact O-OG1 3.24Å; K563-T567 VanDerWaalsContact O-OG1 3.07Å
564	S	55.8	Low	53.8	Low	68 Å²	68	108.3 Å²	108.3	48%	0.476	61%	0.606	S	S	.	*	H	α-helix	trans	-65.8	-40.1	179	76.4	0	0	0	0	112.6	D560 A561 T567 S568	D560-S564 PolarHBondContact O-N 3.46Å; A561-S564 WeakPolarHBondContact O-CA 3.24Å; A561-S564 WeakPolarHBondContact O-CB 3.41Å; A561-S564 PolarHBondContact O-N 2.78Å; A561-S564 PolarHBondContact O-OG 2.8Å; S564-T567 WeakPolarHBondContact CA-OG1 3.47Å; S564-T567 PolarHBondContact O-N 2.9Å; S564-T567 PolarHBondContact O-OG1 2.85Å; S564-S568 PolarHBondContact O-N 3.15Å; S564-S568 VanDerWaalsContact O-N 3.16Å
565	E	47.8	Very low	51.3	Low	129 Å²	129	106.7 Å²	106.7	60%	0.603	62%	0.615	S	S	*	*	H	α-helix	trans	-66.9	-42.6	175.2	-70.2	-173.8	149.8	0	0	111.6	A561 T567 S568	A561-E565 PolarHBondContact O-N 3.19Å; E565-T567 VanDerWaalsContact C-N 3.29Å; E565-T567 PolarHBondContact O-N 2.85Å; E565-S568 WeakPolarHBondContact O-CB 3.4Å; E565-S568 PolarHBondContact O-N 3.47Å; E565-S568 PolarHBondContact O-OG 3.42Å
566	S	44.9	Very low	49.2	Very low	88 Å²	88	107.5 Å²	107.5	62%	0.615	63%	0.634	S	S	*	*	H	α-helix	trans	-67.8	-22.9	176.3	48.6	0	0	0	0	113.9	L562 K563	L562-S566 WeakPolarHBondContact O-CB 3.31Å; L562-S566 PolarHBondContact O-N 3.21Å; L562-S566 PolarHBondContact O-OG 2.79Å; K563-S566 WeakPolarHBondContact CA-OG 3Å; K563-S566 PolarHBondContact O-N 2.88Å; K563-S566 PolarHBondContact O-OG 3.01Å; K563-S566 VanDerWaalsContact O-OG 3.1Å
567	T	42.7	Very low	47	Very low	111 Å²	111	109.6 Å²	109.6	68%	0.681	65%	0.65	S	S	*	*	H	α-helix	trans	-83.7	-11.9	167.8	50.6	0	0	0	0	114.6	K563 S564 E565	K563-T567 PolarHBondContact O-N 2.85Å; K563-T567 PolarHBondContact O-OG1 3.24Å; K563-T567 VanDerWaalsContact O-OG1 3.07Å; S564-T567 WeakPolarHBondContact CA-OG1 3.47Å; S564-T567 PolarHBondContact O-N 2.9Å; S564-T567 PolarHBondContact O-OG1 2.85Å; E565-T567 VanDerWaalsContact C-N 3.29Å; E565-T567 PolarHBondContact O-N 2.85Å
568	S	38.9	Very low	44.8	Very low	77 Å²	77	109.9 Å²	109.9	54%	0.538	66%	0.66	S	S	.	*	H	α-helix	trans	-80.7	-18.9	-177.4	76.6	0	0	0	0	114.3	S564 E565	S564-S568 PolarHBondContact O-N 3.15Å; S564-S568 VanDerWaalsContact O-N 3.16Å; E565-S568 WeakPolarHBondContact O-CB 3.4Å; E565-S568 PolarHBondContact O-N 3.47Å; E565-S568 PolarHBondContact O-OG 3.42Å
569	F	36.5	Very low	42.7	Very low	194 Å²	194	113 Å²	113	85%	0.851	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	7.8	-173.7	-115.2	-89	0	0	0	115.5
570	Q	37.2	Very low	40.3	Very low	188 Å²	188	113.9 Å²	113.9	88%	0.879	70%	0.696	S	S	*	*	S	Bend	trans	-119.9	66.7	171.2	-71.9	-172.4	-19.1	0	0	110.8
571	G	28.4	Very low	38.3	Very low	64 Å²	64	118.6 Å²	118.6	66%	0.66	72%	0.715	S	S	*	*			trans	-140.4	11.5	-155.9	0	0	0	0	0	120
572	V	28	Very low	36.8	Very low	152 Å²	152	122.2 Å²	122.2	92%	0.921	74%	0.735	S	S	*	*			trans	-126.3	123.1	170.5	-176.3	0	0	0	0	110.2
573	K	32.4	Very low	35	Very low	193 Å²	193	125.2 Å²	125.2	84%	0.839	75%	0.745	S	S	*	*			trans	-131.3	152.5	-173.5	-70.1	-179.4	177.3	178.5	0	111.8
574	S	30.9	Very low	33.5	Very low	132 Å²	132	128.1 Å²	128.1	92%	0.923	77%	0.766	S	S	*	*			trans	-178.1	135.1	137.4	-79.5	0	0	0	0	109
575	G	24.6	Very low	32.2	Very low	69 Å²	69	130.5 Å²	130.5	71%	0.711	78%	0.777	S	S	*	*			cis	-149.1	151.5	-10.4	0	0	0	0	0	109.1
576	A	30	Very low	31	Very low	101 Å²	101	132.4 Å²	132.4	84%	0.835	79%	0.79	S	S	*	*				70.1	133.7	87.4	0	0	0	0	0	112.6
577	V	26.9	Very low	30	Very low	134 Å²	134	134.7 Å²	134.7	81%	0.812	79%	0.794	S	S	*	*			cis	-148.5	132.7	22.9	172	0	0	0	0	106.6
578	S	25.7	Very low	29.1	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	80%	0.796	S	S	*	*				86.3	101.1	53.4	177.1	0	0	0	0	117.3
579	T	26.2	Very low	28.4	Very low	137 Å²	137	138.8 Å²	138.8	84%	0.84	81%	0.809	S	S	*	*			trans	-155.3	118.2	145.7	45.8	0	0	0	0	107.2
580	A	27.3	Very low	27.9	Very low	94 Å²	94	138 Å²	138	78%	0.777	81%	0.807	S	S	*	*				94	96.7	56	0	0	0	0	0	113.3
581	E	28.2	Very low	28.1	Very low	183 Å²	183	133.8 Å²	133.8	86%	0.855	80%	0.796	S	S	*	*			trans	10.7	162	142.9	-80	-173.6	147.9	0	0	122.6
582	P	39.7	Very low	28	Very low	121 Å²	121	139.4 Å²	139.4	79%	0.786	81%	0.805	S	S	*	*			cis	-142.6	-174	30.5	43.1	-23.4	0	0	0	118.3
583	Q	25.6	Very low	27.9	Very low	173 Å²	173	137.7 Å²	137.7	81%	0.808	80%	0.8	S	S	*	*			trans	-76.8	155.1	167.2	-50.3	170.5	-60.4	0	0	112.3
584	L	25.1	Very low	27.8	Very low	176 Å²	176	135.5 Å²	135.5	92%	0.921	80%	0.797	S	S	*	*				-173.1	168.3	125	-106.4	164.7	0	0	0	114
585	V	28.8	Very low	28.3	Very low	118 Å²	118	135 Å²	135	72%	0.715	79%	0.791	S	S	*	*			trans	-94.7	145.9	-174.4	172.7	0	0	0	0	111.6
586	L	23.7	Very low	28.4	Very low	168 Å²	168	134.5 Å²	134.5	88%	0.88	79%	0.786	S	S	*	*			trans	-156.2	171.2	150.3	-112.6	166.8	0	0	0	112.5
587	I	23.3	Very low	28.2	Very low	136 Å²	136	137 Å²	137	70%	0.697	79%	0.785	S	S	*	*			trans	-125.6	174	-163.1	-70.7	161.5	0	0	0	109.6
588	S	23.3	Very low	28.2	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	78%	0.782	S	S	*	*			trans	84.2	157.5	167.5	80.5	0	0	0	0	117.2
589	E	23.4	Very low	28.3	Very low	172 Å²	172	137 Å²	137	80%	0.804	78%	0.778	S	S	*	*			cis	-169.2	128.4	-47.4	-120.7	-178.8	133.7	0	0	111.3
590	H	26.6	Very low	29.5	Very low	177 Å²	177	135.6 Å²	135.6	82%	0.819	77%	0.771	S	S	*	*			trans	58.5	-176.4	150.9	-109	53.1	0	0	0	118.1
591	P	41.2	Very low	29.5	Very low	99 Å²	99	136.8 Å²	136.8	64%	0.643	77%	0.769	S	S	*	*			cis	-129.3	-171.9	-5.6	33.5	-11.9	0	0	0	116.3
592	Q	27.3	Very low	29.5	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	76%	0.763	S	S	*	*			trans	85.7	137.7	165.1	-54.8	-170.9	8.5	0	0	117.1
593	S	25.9	Very low	29	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	76%	0.758	S	S	*	*			cis	-146.6	153.8	0.3	58.3	0	0	0	0	112.7
594	N	29.7	Very low	29.1	Very low	147 Å²	147	135.9 Å²	135.9	79%	0.786	75%	0.749	S	S	*	*			trans	-143.9	145.1	175	-161.1	6.2	0	0	0	109.7
595	P	41	Very low	29.2	Very low	123 Å²	123	131.2 Å²	131.2	80%	0.799	73%	0.731	S	S	*	*				-141.3	143.6	111.4	36.5	-23.2	0	0	0	112.3
596	G	27.6	Very low	29.2	Very low	58 Å²	58	135 Å²	135	60%	0.598	73%	0.734	S	S	*	*				121.9	150.5	67.2	0	0	0	0	0	108.8
597	L	25.8	Very low	29.4	Very low	154 Å²	154	133.8 Å²	133.8	81%	0.806	72%	0.723	S	S	*	*			cis	-146	147.3	12.6	-111	69.3	0	0	0	111.7
598	L	27.1	Very low	29.6	Very low	143 Å²	143	135 Å²	135	75%	0.749	73%	0.726	S	S	*	*			trans	53.5	94.5	143.7	-53.9	178.9	0	0	0	123.7
599	S	26.7	Very low	29.6	Very low	96 Å²	96	134.5 Å²	134.5	67%	0.671	72%	0.723	S	S	*	*				31.7	166.4	98.7	73.5	0	0	0	0	122.8
600	P	52.9	Low	29.9	Very low	108 Å²	108	133.6 Å²	133.6	70%	0.701	72%	0.722	S	S	*	*			cis	-130.7	-154.5	-28.9	33.7	-12.3	0	0	0	112.7
601	V	26.6	Very low	29.9	Very low	120 Å²	120	132 Å²	132	73%	0.727	72%	0.715	S	S	*	*				-169.7	127.2	79.3	163.2	0	0	0	0	112.6
602	Y	27.5	Very low	29.4	Very low	184 Å²	184	136.7 Å²	136.7	72%	0.722	72%	0.72	S	S	*	*			trans	48.6	126.3	146.8	-81.5	-126.8	0	0	0	121.9
603	K	30.1	Very low	29.4	Very low	157 Å²	157	135.8 Å²	135.8	68%	0.683	72%	0.715	S	S	*	*				76.4	155.4	83.5	-65.2	-145.2	-166.2	-175.4	0	115
604	D	28	Very low	29.5	Very low	117 Å²	117	140.8 Å²	140.8	63%	0.626	72%	0.717	S	S	*	*			cis	-156.3	161.8	12	-137.9	-35.8	0	0	0	114.4
605	S	26.3	Very low	29.5	Very low	78 Å²	78	138.2 Å²	138.2	55%	0.545	71%	0.71	S	S	.	*			trans	50	116.3	140.6	-70.8	0	0	0	0	127.1
606	Y	29.5	Very low	29	Very low	197 Å²	197	137.8 Å²	137.8	77%	0.773	71%	0.71	S	S	*	*				73.5	126.1	122	-63.4	-53.4	0	0	0	128.2
607	H	28.3	Very low	29	Very low	143 Å²	143	142.1 Å²	142.1	66%	0.662	72%	0.72	S	S	*	*			trans	67.2	120.2	132.1	-70.7	-59	0	0	0	127.3
608	H	27.4	Very low	29.1	Very low	160 Å²	160	140.8 Å²	140.8	74%	0.741	72%	0.718	S	S	*	*				74.7	118.2	127.6	-77.8	-49.3	0	0	0	126.8
609	S	23.4	Very low	29.2	Very low	94 Å²	94	139.1 Å²	139.1	66%	0.657	72%	0.718	S	S	*	*				79.4	120	119.6	75.4	0	0	0	0	125
610	L	28.8	Very low	30.2	Very low	153 Å²	153	139.6 Å²	139.6	80%	0.801	72%	0.719	S	S	*	*				74.6	112.9	128	-68.4	174.1	0	0	0	123.5
611	Q	27.9	Very low	29.1	Very low	143 Å²	143	143.8 Å²	143.8	67%	0.668	73%	0.726	S	S	*	*				98	96.1	113.9	-168.6	165.5	-40.4	0	0	122.5
612	R	29.2	Very low	29.2	Very low	197 Å²	197	149.7 Å²	149.7	74%	0.743	74%	0.735	S	S	*	*				62.4	124.4	127.5	-175.3	-162.6	-65.6	-174.7	0.5	120.6
613	H	27.8	Very low	29.8	Very low	163 Å²	163	145.7 Å²	145.7	76%	0.755	73%	0.732	S	S	*	*				-171.2	145.4	126.8	-103.6	-73.9	0	0	0	115.9
614	R	27.8	Very low	29.8	Very low	221 Å²	221	142.5 Å²	142.5	83%	0.834	73%	0.729	S	S	*	*			trans	-1.1	159.5	154.3	-69.4	-171.7	173	165.8	-4.3	121.8
615	S	30.7	Very low	30	Very low	94 Å²	94	143.5 Å²	143.5	66%	0.657	74%	0.74	S	S	*	*			cis	-176.8	179.4	-8.3	-93.3	0	0	0	0	111.5
616	S	29.4	Very low	30.2	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	75%	0.745	S	S	*	*			trans	80.4	150	165.4	82.5	0	0	0	0	117.7
617	D	27.4	Very low	30.2	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	75%	0.752	S	S	*	*			cis	-156.7	173.5	-6	-136.9	-34.8	0	0	0	115.6
618	V	27.7	Very low	30.3	Very low	127 Å²	127	138.2 Å²	138.2	77%	0.77	76%	0.759	S	S	*	*			trans	72	145.3	155.7	172.2	0	0	0	0	121.8
619	S	29.9	Very low	30.3	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	76%	0.762	S	S	*	*			trans	-150.1	159.2	162.1	67	0	0	0	0	110.4
620	P	47.8	Very low	31.7	Very low	106 Å²	106	136 Å²	136	69%	0.688	77%	0.771	S	S	*	*				-160.4	150.6	109.8	38.2	-17.8	0	0	0	120.1
621	K	29.4	Very low	31.8	Very low	196 Å²	196	137.3 Å²	137.3	85%	0.852	78%	0.775	S	S	*	*			trans	54.3	112.6	138.2	-62.1	173.4	-178.7	174.5	0	124.5
622	R	28.4	Very low	31.9	Very low	244 Å²	244	142.5 Å²	142.5	92%	0.921	79%	0.789	S	S	*	*				58.3	170.7	122.2	-104.9	-172.7	-177.8	-172.2	1.2	121
623	P	40.3	Very low	32	Very low	100 Å²	100	138.3 Å²	138.3	65%	0.649	79%	0.789	S	S	*	*			cis	-142.3	167.1	-5.8	43.3	-24.2	0	0	0	120.1
624	S	31.3	Very low	33	Very low	91 Å²	91	135.6 Å²	135.6	64%	0.636	79%	0.786	S	S	*	*			trans	51	134.1	135.2	68.1	0	0	0	0	128
625	T	31.2	Very low	33.5	Very low	137 Å²	137	135.1 Å²	135.1	84%	0.84	79%	0.785	S	S	*	*			trans	66.1	151.2	137.2	50.3	0	0	0	0	121.9
626	A	30.6	Very low	34.5	Very low	81 Å²	81	136.9 Å²	136.9	67%	0.669	79%	0.794	S	S	*	*			cis	-171	177.7	-12.8	0	0	0	0	0	113.3
627	T	29.7	Very low	34.7	Very low	147 Å²	147	140.6 Å²	140.6	90%	0.902	79%	0.791	S	S	*	*			trans	70.3	119.3	154.4	32.5	0	0	0	0	124.6
628	G	29.3	Very low	34.9	Very low	79 Å²	79	144.1 Å²	144.1	81%	0.814	79%	0.794	S	S	*	*				114.8	77.6	101.5	0	0	0	0	0	125.8
629	G	28.7	Very low	35.3	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	79%	0.786	S	S	*	*			trans	62.4	-176.7	146.6	0	0	0	0	0	121.5
630	P	52.2	Low	35.2	Very low	129 Å²	129	143.1 Å²	143.1	84%	0.838	78%	0.783	S	S	*	*			cis	-136.9	173.1	-11.4	42.9	-25.3	0	0	0	118
631	M	31.8	Very low	34.8	Very low	181 Å²	181	143 Å²	143	89%	0.892	79%	0.785	S	S	*	*			trans	3.9	133.6	162.4	-65	-178.9	161	0	0	125
632	R	29.9	Very low	35.1	Very low	252 Å²	252	140.4 Å²	140.4	95%	0.951	77%	0.773	S	S	*	*				175.3	171.3	110.3	-101.2	-178	172.1	167.4	-1.8	115.2
633	S	30.4	Very low	35.2	Very low	108 Å²	108	137 Å²	137	76%	0.755	76%	0.762	S	S	*	*			trans	-138.3	-168.2	178.8	65.1	0	0	0	0	110
634	P	50.1	Low	35	Very low	107 Å²	107	138 Å²	138	70%	0.695	76%	0.76	S	S	*	*			cis	-142.9	169.8	-7	42.4	-24	0	0	0	118.7
635	R	37	Very low	34.9	Very low	211 Å²	211	140.6 Å²	140.6	80%	0.796	76%	0.762	S	S	*	*			trans	63.4	169.3	149.1	-89.4	-176.9	-171.9	-162.2	4.6	119.3
636	P	51.5	Low	34.9	Very low	130 Å²	130	142.1 Å²	142.1	84%	0.844	76%	0.757	S	S	*	*			cis	-131.8	-133.1	35.1	41.9	-19.7	0	0	0	118.6
637	Y	34.2	Very low	34.8	Very low	192 Å²	192	144.6 Å²	144.6	75%	0.753	76%	0.764	S	S	*	*			trans	-156.4	174.9	-131.3	-141.3	-98	0	0	0	117.4
638	R	32	Very low	34.9	Very low	222 Å²	222	142.5 Å²	142.5	84%	0.838	76%	0.756	S	S	*	*			trans	98.3	153.9	167.7	-76.6	-168.2	164.1	177.9	-5.7	118.8
639	S	35.4	Very low	36.6	Very low	87 Å²	87	143.7 Å²	143.7	61%	0.608	75%	0.749	S	S	*	*			cis	-176.3	-174.5	-29	59	0	0	0	0	108
640	D	28.1	Very low	36.7	Very low	127 Å²	127	146.9 Å²	146.9	68%	0.679	75%	0.753	S	S	*	*			cis	-154.4	153.3	7.5	-103.6	-51.9	0	0	0	109
641	S	38.9	Very low	35.7	Very low	104 Å²	104	144.5 Å²	144.5	73%	0.727	75%	0.752	S	S	*	*				60.9	144.8	97.7	118	0	0	0	0	117.4
642	K	36.8	Very low	35.6	Very low	140 Å²	140	144.9 Å²	144.9	61%	0.609	75%	0.751	S	S	*	*			cis	-171.2	173.7	5.4	180	-179.2	163.7	-160.9	0	111.5
643	Y	29.6	Very low	35.8	Very low	174 Å²	174	138 Å²	138	68%	0.682	74%	0.742	S	S	*	*			trans	100.7	142	162.7	-67.4	-94.7	0	0	0	118.2
644	I	36.4	Very low	35.9	Very low	119 Å²	119	139.5 Å²	139.5	61%	0.61	74%	0.74	S	S	*	*			cis	105.1	136	8.8	-64.6	164.7	0	0	0	113.7
645	E	29.5	Very low	35	Very low	147 Å²	147	141.2 Å²	141.2	69%	0.687	74%	0.742	S	S	*	*			cis	-134.9	-101.6	17.9	-160.3	140.6	161.9	0	0	120
646	K	30.3	Very low	34.5	Very low	168 Å²	168	137 Å²	137	73%	0.73	74%	0.739	S	S	*	*			trans	-143.5	-171	-157.3	-67	160.9	-165.5	154.1	0	112.5
647	T	29	Very low	33.4	Very low	134 Å²	134	136.2 Å²	136.2	82%	0.822	73%	0.732	S	S	*	*			cis	-158.5	-157.5	18.6	-28.2	0	0	0	0	112.8
648	S	31.8	Very low	33.5	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	73%	0.733	S	S	*	*			trans	-146.7	-168.7	-179.4	68.6	0	0	0	0	111.4
649	P	66	Low	34	Very low	104 Å²	104	127.9 Å²	127.9	68%	0.675	73%	0.728	S	S	*	*			cis	-137.1	-153.6	-16.2	36.8	-13.7	0	0	0	114.3
650	T	30.3	Very low	33.8	Very low	146 Å²	146	128.4 Å²	128.4	90%	0.896	74%	0.737	S	S	*	*			trans	98.1	150.1	159.7	74.2	0	0	0	0	121.6
651	G	30.5	Very low	33.8	Very low	79 Å²	79	127 Å²	127	81%	0.814	74%	0.744	S	S	*	*			trans	132.3	131.4	164.2	0	0	0	0	0	116.2
652	E	30.1	Very low	33.4	Very low	189 Å²	189	125.9 Å²	125.9	88%	0.883	74%	0.741	S	S	*	*			trans	-119.4	173.8	-179.6	-64.7	-174.2	112.4	0	0	113.9
653	S	34.2	Very low	33.2	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	75%	0.751	S	S	*	*			trans	83.3	151.9	151.8	91.8	0	0	0	0	117.4
654	I	32.2	Very low	33.3	Very low	139 Å²	139	125.4 Å²	125.4	71%	0.713	75%	0.754	S	S	*	*			cis	-165.7	142	-6	-126.2	173.8	0	0	0	112.2
655	I	31.3	Very low	33.1	Very low	143 Å²	143	128.4 Å²	128.4	73%	0.733	76%	0.758	S	S	*	*			trans	60.1	158.8	150.4	-65	170.7	0	0	0	118
656	T	26.9	Very low	33.2	Very low	121 Å²	121	125.4 Å²	125.4	74%	0.742	76%	0.758	S	S	*	*			cis	-139.5	142.1	8.9	6.5	0	0	0	0	107.2
657	V	27.4	Very low	33.1	Very low	114 Å²	114	123.5 Å²	123.5	69%	0.691	75%	0.752	S	S	*	*				85.6	94	56.1	178.2	0	0	0	0	115.8
658	T	36.2	Very low	32.9	Very low	128 Å²	128	121.5 Å²	121.5	79%	0.785	75%	0.749	S	S	*	*			trans	53.1	-177.9	137.2	69.8	0	0	0	0	119.5
659	P	44.1	Very low	32.8	Very low	112 Å²	112	122.6 Å²	122.6	73%	0.727	75%	0.747	S	S	*	*			cis	-140.2	-174.7	2	45.2	-26.6	0	0	0	118.5
660	A	29.2	Very low	31	Very low	97 Å²	97	124.9 Å²	124.9	80%	0.802	75%	0.746	S	S	*	*			trans	69.7	160	154.2	0	0	0	0	0	118
661	A	29.1	Very low	31	Very low	98 Å²	98	125.1 Å²	125.1	81%	0.81	74%	0.741	S	S	*	*			cis	-175.8	173.8	-22.5	0	0	0	0	0	108.2
662	A	29.7	Very low	30.8	Very low	81 Å²	81	132.8 Å²	132.8	67%	0.669	75%	0.745	S	S	*	*			cis	-176.8	172.6	-38.7	0	0	0	0	0	107.8
663	I	32.7	Very low	30.8	Very low	160 Å²	160	132.4 Å²	132.4	82%	0.821	74%	0.743	S	S	*	*			trans	68.2	127.4	163.2	-69.6	165.1	0	0	0	115.3
664	L	33.3	Very low	30.4	Very low	143 Å²	143	137.6 Å²	137.6	75%	0.749	75%	0.748	S	S	*	*			cis	-148.1	-164	-5.2	-111.7	173.8	0	0	0	106.3
665	R	31.9	Very low	30.1	Very low	182 Å²	182	134.9 Å²	134.9	69%	0.687	74%	0.741	S	S	*	*			cis	-144.5	-145.9	12.6	-146.7	176.1	172.7	120.4	-1.6	107.6	E667	R665-E667 WeakPolarHBondContact CG-OE2 3.49Å; R665-E667 IonicContact CZ-OE1 3.9Å; R665-E667 VanDerWaalsContact CZ-OE1 3.26Å; R665-E667 IonicContact CZ-OE2 3.26Å; R665-E667 IonicContact NE-OE1 3.54Å; R665-E667 PolarHBondContact NE-OE1 3.17Å; R665-E667 IonicContact NE-OE2 3.02Å; R665-E667 PolarHBondContact NE-OE2 2.96Å; R665-E667 IonicContact NH2-OE1 3.09Å; R665-E667 PolarHBondContact NH2-OE1 2.87Å; R665-E667 IonicContact NH2-OE2 2.68Å
666	A	31.2	Very low	30	Very low	85 Å²	85	134 Å²	134	70%	0.702	74%	0.738	S	S	*	*			cis	-171.5	166.1	-4.4	0	0	0	0	0	106.7
667	E	27.6	Very low	30.1	Very low	127 Å²	127	135.9 Å²	135.9	59%	0.593	74%	0.738	S	S	*	*			cis	-169.5	160.1	-28.7	-157.4	102.1	142.1	0	0	107.5	R665	R665-E667 WeakPolarHBondContact CG-OE2 3.49Å; R665-E667 IonicContact CZ-OE1 3.9Å; R665-E667 VanDerWaalsContact CZ-OE1 3.26Å; R665-E667 IonicContact CZ-OE2 3.26Å; R665-E667 IonicContact NE-OE1 3.54Å; R665-E667 PolarHBondContact NE-OE1 3.17Å; R665-E667 IonicContact NE-OE2 3.02Å; R665-E667 PolarHBondContact NE-OE2 2.96Å; R665-E667 IonicContact NH2-OE1 3.09Å; R665-E667 PolarHBondContact NH2-OE1 2.87Å; R665-E667 IonicContact NH2-OE2 2.68Å
668	A	26.1	Very low	30	Very low	93 Å²	93	141.8 Å²	141.8	77%	0.769	75%	0.748	S	S	*	*			trans	64.4	147.7	160.8	0	0	0	0	0	119.9
669	D	29.4	Very low	29.7	Very low	125 Å²	125	143.2 Å²	143.2	67%	0.668	75%	0.745	S	S	*	*			cis	-162.3	165.6	-26.8	-153.4	3.2	0	0	0	112.5
670	K	27.3	Very low	28.9	Very low	153 Å²	153	143 Å²	143	67%	0.665	75%	0.746	S	S	*	*			trans	10.8	122.8	162.9	-71.4	161.6	-161	76	0	123.5
671	I	29.7	Very low	28.8	Very low	151 Å²	151	148.4 Å²	148.4	77%	0.774	75%	0.747	S	S	*	*				29.2	127.5	110.1	-54.3	169.1	0	0	0	119.3
672	R	27.1	Very low	29.6	Very low	240 Å²	240	149.3 Å²	149.3	91%	0.906	75%	0.745	S	S	*	*			trans	-147.3	153.7	141.6	-76.2	-160.1	179.4	-172.1	0.5	112.7
673	Q	29.2	Very low	29.4	Very low	180 Å²	180	151.9 Å²	151.9	84%	0.841	75%	0.748	S	S	*	*			trans	-116.8	154.1	165.8	-60.3	168.9	-72.2	0	0	109.5
674	Y	26.6	Very low	29.2	Very low	218 Å²	218	148.2 Å²	148.2	86%	0.855	74%	0.741	S	S	*	*			trans	-170.4	116.2	152.4	-102.2	-83.2	0	0	0	104.6
675	S	26.2	Very low	28.8	Very low	82 Å²	82	150.6 Å²	150.6	57%	0.573	75%	0.748	S	S	*	*				64.3	147	81.8	114.5	0	0	0	0	113.3
676	D	29.1	Very low	28.7	Very low	123 Å²	123	149.3 Å²	149.3	66%	0.658	75%	0.754	S	S	*	*			cis	-149.3	167.2	6.4	-95.8	-48.8	0	0	0	108.7
677	H	28.8	Very low	28.6	Very low	161 Å²	161	154 Å²	154	75%	0.745	76%	0.761	S	S	*	*			cis	-157.5	150.6	48.4	-71.4	64.7	0	0	0	113.7
678	R	25.5	Very low	28.7	Very low	239 Å²	239	155.9 Å²	155.9	90%	0.902	77%	0.769	S	S	*	*			trans	-147.9	140.9	154.2	-159.6	-177.9	-169.5	-160.1	4.3	109.9
679	H	30	Very low	28.8	Very low	158 Å²	158	157.7 Å²	157.7	73%	0.731	77%	0.766	S	S	*	*			trans	-129.8	140.3	175.1	-72.2	-52	0	0	0	107.9
680	S	26.9	Very low	28.8	Very low	107 Å²	107	160.3 Å²	160.3	75%	0.748	77%	0.774	S	S	*	*			cis	-152.6	167.5	-6.3	-75.7	0	0	0	0	110.7
681	Y	26.8	Very low	28.7	Very low	210 Å²	210	156.2 Å²	156.2	82%	0.824	78%	0.775	S	S	*	*			trans	-92	-179.1	162.2	-99.5	-69.7	0	0	0	109.9	D683	Y681-D683 HydrophobicContact CD1-CB 3.85Å; Y681-D683 HydrophobicContact CE1-CB 4.25Å
682	P	45.7	Very low	29.5	Very low	118 Å²	118	154.5 Å²	154.5	77%	0.766	77%	0.773	S	S	*	*			cis	-108.5	168	15.2	41.8	-31.4	0	0	0	113.9
683	D	26.3	Very low	29.6	Very low	135 Å²	135	150 Å²	150	72%	0.722	77%	0.768	S	S	*	*			cis	86	122.7	25.9	-166.8	29.4	0	0	0	116	Y681	Y681-D683 HydrophobicContact CD1-CB 3.85Å; Y681-D683 HydrophobicContact CE1-CB 4.25Å
684	A	28.1	Very low	29.6	Very low	82 Å²	82	146.1 Å²	146.1	68%	0.678	76%	0.76	S	S	*	*			trans	-172.1	105.8	172.3	0	0	0	0	0	114.5
685	Q	26.3	Very low	29.8	Very low	193 Å²	193	143.9 Å²	143.9	90%	0.902	76%	0.757	S	S	*	*			trans	77.7	149.8	140.1	-61.6	-177.5	-54.1	0	0	122.6
686	I	29.3	Very low	29.9	Very low	156 Å²	156	149 Å²	149	80%	0.8	77%	0.769	S	S	*	*			trans	-138.7	139.1	-177.8	-64.6	167.7	0	0	0	106.8
687	E	29.4	Very low	29.9	Very low	184 Å²	184	150.2 Å²	150.2	86%	0.86	78%	0.775	S	S	*	*			trans	-177.7	109.4	150.2	-102	159.1	-160.9	0	0	106
688	E	28.5	Very low	29.8	Very low	165 Å²	165	150.1 Å²	150.1	77%	0.771	78%	0.779	S	S	*	*				70.2	106.5	84.1	-83.1	-159.3	166.8	0	0	115.1
689	L	29.5	Very low	30	Very low	132 Å²	132	147.4 Å²	147.4	69%	0.691	78%	0.776	S	S	*	*				179.9	154.5	101.4	-128.9	67.2	0	0	0	113.4
690	E	28.4	Very low	30.7	Very low	180 Å²	180	144.7 Å²	144.7	84%	0.841	77%	0.773	S	S	*	*			trans	54.3	152.5	149.7	-77.6	168.3	-178.7	0	0	124
691	G	24.9	Very low	30.8	Very low	66 Å²	66	146.9 Å²	146.9	68%	0.68	78%	0.775	S	S	*	*			trans	-130.8	-156.9	162	0	0	0	0	0	109.1
692	P	47.7	Very low	31	Very low	115 Å²	115	142.1 Å²	142.1	75%	0.747	77%	0.768	S	S	*	*			cis	-134.5	-161.7	3.3	42.3	-23.3	0	0	0	114
693	D	29.4	Very low	30.3	Very low	147 Å²	147	145.1 Å²	145.1	79%	0.786	77%	0.772	S	S	*	*			trans	75.1	133.3	149	-82	-30	0	0	0	125.3
694	S	29.3	Very low	30.5	Very low	98 Å²	98	143 Å²	143	69%	0.685	77%	0.767	S	S	*	*			trans	84.7	97.6	138.1	72.7	0	0	0	0	123.2
695	H	30	Very low	30.7	Very low	171 Å²	171	150.8 Å²	150.8	79%	0.792	78%	0.779	S	S	*	*				46.6	137.4	117.2	-75.2	-58.5	0	0	0	124.5
696	K	29	Very low	30.9	Very low	190 Å²	190	146.5 Å²	146.5	83%	0.826	77%	0.77	S	S	*	*			trans	74.7	156.4	149.6	-68.2	161.3	-173.8	173.3	0	116.6
697	L	27.9	Very low	31.2	Very low	147 Å²	147	149.8 Å²	149.8	77%	0.77	77%	0.773	S	S	*	*			cis	-169.9	160.4	-25.8	-171.9	75.7	0	0	0	107
698	L	27.1	Very low	31.1	Very low	159 Å²	159	147.3 Å²	147.3	83%	0.832	77%	0.765	S	S	*	*			trans	92.4	110.7	164.6	-56.3	168.2	0	0	0	119.3
699	E	30.3	Very low	31.3	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	77%	0.77	S	S	*	*			trans	-62.6	176.3	146.3	-85.5	-170.7	122.9	0	0	112
700	P	44.2	Very low	31.3	Very low	102 Å²	102	144.6 Å²	144.6	66%	0.662	77%	0.766	S	S	*	*			cis	-152.6	-168.9	34.8	34	-6.6	0	0	0	119.4
701	L	28.4	Very low	31.2	Very low	152 Å²	152	147.7 Å²	147.7	80%	0.796	77%	0.772	S	S	*	*			trans	84.4	138	161.9	-48.2	176.9	0	0	0	117.1
702	T	30.8	Very low	31.3	Very low	110 Å²	110	149.8 Å²	149.8	68%	0.675	78%	0.777	S	S	*	*			cis	-165.2	142.7	-7.5	18.4	0	0	0	0	113.1
703	H	31.6	Very low	30.4	Very low	182 Å²	182	152.3 Å²	152.3	84%	0.843	78%	0.778	S	S	*	*			trans	64.9	148.7	149.1	-85.3	-113.4	0	0	0	121
704	S	29.8	Very low	30.3	Very low	90 Å²	90	152.7 Å²	152.7	63%	0.629	78%	0.777	S	S	*	*			cis	-163.6	142.7	-3.7	56.4	0	0	0	0	116.7
705	R	33.8	Very low	30.1	Very low	246 Å²	246	153.1 Å²	153.1	93%	0.928	78%	0.78	S	S	*	*			trans	64.1	153.7	150.3	-82.1	-177.1	178.3	179.3	1.1	118.8
706	S	29.6	Very low	30.1	Very low	102 Å²	102	149.6 Å²	149.6	71%	0.713	78%	0.775	S	S	*	*			cis	-151.7	147.7	6.9	48.9	0	0	0	0	114.3
707	R	34.8	Very low	30.4	Very low	226 Å²	226	147.5 Å²	147.5	85%	0.853	77%	0.768	S	S	*	*			trans	25.1	147.5	141.9	-86.5	-176.7	173.7	144.8	2.8	121.5
708	D	29.1	Very low	30.4	Very low	131 Å²	131	148.8 Å²	148.8	70%	0.701	76%	0.764	S	S	*	*			cis	-156.6	177.1	29.9	-122.1	-31.6	0	0	0	114.4
709	L	31.8	Very low	30.5	Very low	165 Å²	165	148.9 Å²	148.9	86%	0.864	76%	0.76	S	S	*	*			trans	71.5	153.2	172.6	-59.2	168.3	0	0	0	118.6
710	A	28.5	Very low	30.4	Very low	75 Å²	75	146.3 Å²	146.3	62%	0.62	75%	0.752	S	S	*	*			cis	-173.2	114.8	-44.9	0	0	0	0	0	110.8
711	Y	27.4	Very low	29.7	Very low	245 Å²	245	148.8 Å²	148.8	96%	0.961	76%	0.759	S	S	*	*			trans	-158.2	153.3	157.3	-108.6	-76.9	0	0	0	109.8
712	S	26.2	Very low	29.5	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	75%	0.75	S	S	*	*			trans	-135.2	151.4	-178	55.2	0	0	0	0	112.3
713	Q	29.7	Very low	29.4	Very low	168 Å²	168	151.3 Å²	151.3	79%	0.785	76%	0.76	S	S	*	*			trans	-147.3	148.1	177.1	-87.6	-163.5	-10.7	0	0	112
714	M	26.6	Very low	29.1	Very low	154 Å²	154	146.7 Å²	146.7	76%	0.759	75%	0.749	S	S	*	*			trans	64.3	126.1	162.1	-63.2	176.8	-165.5	0	0	115.7
715	S	26	Very low	28.9	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	75%	0.754	S	S	*	*				76.2	137	51.3	91.4	0	0	0	0	112.7
716	S	30.4	Very low	28.8	Very low	97 Å²	97	141 Å²	141	68%	0.678	75%	0.747	S	S	*	*			cis	-142.5	-143.1	-4.4	46.1	0	0	0	0	110
717	Q	33.5	Very low	29.6	Very low	146 Å²	146	140.9 Å²	140.9	68%	0.682	74%	0.743	S	S	*	*			cis	-166.5	168.3	10.1	-146.7	172.6	13.2	0	0	112.4
718	Y	28.7	Very low	29.3	Very low	173 Å²	173	136.9 Å²	136.9	68%	0.678	73%	0.734	S	S	*	*			trans	76.5	140.9	155.4	-84.8	-65.2	0	0	0	124.3
719	H	30	Very low	29.2	Very low	162 Å²	162	138.3 Å²	138.3	75%	0.75	73%	0.731	S	S	*	*			trans	68	156.4	162.6	-58.6	-52.3	0	0	0	120.2
720	N	26.5	Very low	29	Very low	128 Å²	128	138.7 Å²	138.7	68%	0.684	72%	0.722	S	S	*	*			cis	-175.8	142.8	-49.6	-132.6	8.6	0	0	0	107.4
721	L	29.4	Very low	28.9	Very low	154 Å²	154	140.8 Å²	140.8	81%	0.806	73%	0.731	S	S	*	*			trans	63.6	162.1	163.4	-59.6	168	0	0	0	115.1
722	S	25.6	Very low	28.9	Very low	87 Å²	87	137 Å²	137	61%	0.608	72%	0.72	S	S	*	*			cis	-171	146.5	-19.4	47.4	0	0	0	0	110
723	Y	27.8	Very low	29.4	Very low	227 Å²	227	137.3 Å²	137.3	89%	0.89	72%	0.719	S	S	*	*			trans	61.8	168.8	166.5	-81.3	-124.9	0	0	0	115.3
724	S	25.8	Very low	29.4	Very low	86 Å²	86	135.1 Å²	135.1	60%	0.601	72%	0.722	S	S	*	*			cis	-161.7	179.2	-34.7	57.6	0	0	0	0	109.8
725	S	25.1	Very low	29.5	Very low	106 Å²	106	137 Å²	137	74%	0.741	73%	0.728	S	S	*	*			trans	56.7	111.8	147.9	54.1	0	0	0	0	121.6
726	S	31.8	Very low	29.9	Very low	111 Å²	111	136.3 Å²	136.3	78%	0.776	72%	0.724	S	S	*	*			trans	-61	176.3	141.4	-41.9	0	0	0	0	111.2
727	P	46	Very low	30.3	Very low	98 Å²	98	139.8 Å²	139.8	64%	0.636	73%	0.733	S	S	*	*			cis	-147.8	-169.5	17.6	44.1	-22.5	0	0	0	117.8
728	E	28.8	Very low	30.3	Very low	142 Å²	142	144 Å²	144	66%	0.664	74%	0.743	S	S	*	*			trans	68.2	159.1	148.9	-79.3	164.8	178.4	0	0	119.8
729	Y	28.6	Very low	30.6	Very low	161 Å²	161	144.3 Å²	144.3	63%	0.631	75%	0.75	S	S	*	*			cis	-157.2	151.4	3.4	-122.2	-41.4	0	0	0	113.1
730	Y	26.3	Very low	30.7	Very low	173 Å²	173	148.2 Å²	148.2	68%	0.678	76%	0.758	S	S	*	*			trans	60.5	158.1	161.7	-74.4	-77.7	0	0	0	119.3
731	C	26.4	Very low	30.7	Very low	119 Å²	119	151.8 Å²	151.8	80%	0.804	77%	0.768	S	S	*	*			cis	-139.8	-179.7	12	-150.2	0	0	0	0	115.2
732	K	27.6	Very low	30.8	Very low	167 Å²	167	155.5 Å²	155.5	73%	0.726	77%	0.771	S	S	*	*			trans	-103.8	-168.7	-171.4	-40.2	171.9	-179.8	169.6	0	111.4
733	P	37.7	Very low	31	Very low	116 Å²	116	159 Å²	159	75%	0.753	78%	0.783	S	S	*	*			cis	-135.2	174.7	-17.3	39.8	-23.5	0	0	0	115
734	S	29	Very low	30.9	Very low	122 Å²	122	156.7 Å²	156.7	85%	0.853	78%	0.78	S	S	*	*			trans	-176.2	161.1	137.4	40.1	0	0	0	0	112.2
735	H	29.3	Very low	31.1	Very low	194 Å²	194	164 Å²	164	90%	0.898	79%	0.794	S	S	*	*			trans	-100.4	135.9	-176	-69.7	-119.7	0	0	0	112.3
736	S	33.2	Very low	31.2	Very low	94 Å²	94	169 Å²	169	66%	0.657	80%	0.803	S	S	*	*			trans	168.4	85.9	134.1	-173.4	0	0	0	0	111.6	W738	S736-W738 VanDerWaalsContact C-N 3.35Å; S736-W738 PolarHBondContact O-N 2.97Å
737	I	38.9	Very low	31	Very low	169 Å²	169	175 Å²	175	87%	0.867	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	70.6	173.8	-51.9	179.7	0	0	0	109.4
738	W	34.7	Very low	30.2	Very low	236 Å²	236	179.1 Å²	179.1	89%	0.894	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.4	-2.5	173.5	-97.3	103.9	0	0	0	117.1	S736	S736-W738 VanDerWaalsContact C-N 3.35Å; S736-W738 PolarHBondContact O-N 2.97Å
739	E	33.6	Very low	30.6	Very low	179 Å²	179	181.1 Å²	181.1	84%	0.836	83%	0.825	S	S	*	*	S	Bend	trans	-116.2	25.7	-171.3	-66.9	-152.8	118.5	0	0	117
740	R	32	Very low	30.7	Very low	243 Å²	243	180.1 Å²	180.1	92%	0.917	83%	0.831	S	S	*	*	S	Bend	trans	-126.4	11.5	171.7	-75.2	-162.3	176.1	-160.6	-0	117.5
741	F	27.7	Very low	31	Very low	203 Å²	203	180.5 Å²	180.5	89%	0.89	84%	0.839	S	S	*	*			trans	-120	75	170.3	-75.2	-72.7	0	0	0	112.6
742	R	30.4	Very low	31.3	Very low	232 Å²	232	183.8 Å²	183.8	88%	0.875	84%	0.842	S	S	*	*			trans	-120.7	69.8	174.3	-157.1	177.1	-165.3	-178.5	4.9	111.6
743	L	29.6	Very low	31.8	Very low	162 Å²	162	187 Å²	187	85%	0.848	85%	0.851	S	S	*	*			trans	-69.9	133.2	179.8	-84.2	163.9	0	0	0	112.7
744	H	27.4	Very low	31.9	Very low	178 Å²	178	188.6 Å²	188.6	82%	0.824	85%	0.85	S	S	*	*			trans	-104	82.2	172.3	-103.6	36.8	0	0	0	112.1
745	R	28.9	Very low	32.6	Very low	239 Å²	239	186.7 Å²	186.7	90%	0.902	84%	0.842	S	S	*	*			trans	38.7	100.1	136	-164.9	-171.3	-157	-174.7	8.1	118.2
746	K	27.5	Very low	33	Very low	212 Å²	212	181.5 Å²	181.5	92%	0.922	83%	0.833	S	S	*	*			trans	-135.4	165	143	-122.5	175.3	-178.1	179.1	0	110.6
747	R	26.7	Very low	32.9	Very low	236 Å²	236	179.6 Å²	179.6	89%	0.891	83%	0.828	S	S	*	*			trans	-90.1	142.5	-168.6	-60	172.5	177.5	162.1	-3.7	111.9
748	H	29.8	Very low	33.1	Very low	184 Å²	184	176.9 Å²	176.9	85%	0.852	81%	0.811	S	S	*	*				-147.6	151.4	122.9	-113.9	-90.5	0	0	0	108.1
749	K	37.3	Very low	33.4	Very low	184 Å²	184	168.5 Å²	168.5	80%	0.8	79%	0.793	S	S	*	*			trans	-158.4	46.5	-168.9	-162.3	-129	169.6	-162	0	114.2
750	D	30.9	Very low	33.5	Very low	141 Å²	141	166 Å²	166	75%	0.754	78%	0.784	S	S	*	*			trans	-143.7	33.1	-174	-69.2	-68.6	0	0	0	114.5
751	E	32.3	Very low	33.7	Very low	181 Å²	181	162.9 Å²	162.9	85%	0.846	77%	0.772	S	S	*	*			trans	-112.2	-15.2	-177.9	-67	-171	140.9	0	0	115.6	Y753	E751-Y753 PolarHBondContact O-N 3.36Å; E751-Y753 VanDerWaalsContact O-N 3.09Å
752	E	33.8	Very low	34.4	Very low	188 Å²	188	158.9 Å²	158.9	88%	0.879	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	7.1	-166.6	-150.7	168.1	-161.1	0	0	115.2
753	Y	36.9	Very low	34.9	Very low	233 Å²	233	155.9 Å²	155.9	91%	0.914	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	1.6	-176.4	-79.2	-72	0	0	0	115.9	E751	E751-Y753 PolarHBondContact O-N 3.36Å; E751-Y753 VanDerWaalsContact O-N 3.09Å
754	M	40.1	Very low	35.5	Very low	150 Å²	150	152.1 Å²	152.1	74%	0.739	73%	0.731	S	S	*	*	S	Bend	trans	-99.1	-5.2	-178.8	-65.8	-159	-172.6	0	0	115.8	A756 H758	M754-A756 PolarHBondContact O-N 2.99Å; M754-H758 PolarHBondContact O-N 3.36Å
755	A	43.5	Very low	36.2	Very low	83 Å²	83	150.1 Å²	150.1	69%	0.686	72%	0.723	S	S	*	*	H	α-helix	trans	-61.5	-43.6	-171.3	0	0	0	0	0	114.6	A759	A755-A759 PolarHBondContact O-N 2.91Å
756	A	37.2	Very low	37	Very low	85 Å²	85	145.8 Å²	145.8	70%	0.702	71%	0.711	S	S	*	*	H	α-helix	trans	-70.3	-47	-173.8	0	0	0	0	0	113	M754 H758 A759 L760	M754-A756 PolarHBondContact O-N 2.99Å; A756-H758 VanDerWaalsContact C-N 3.31Å; A756-H758 PolarHBondContact O-N 2.77Å; A756-A759 PolarHBondContact O-N 2.86Å; A756-L760 PolarHBondContact O-N 3.19Å
757	G	32	Very low	37.7	Very low	53 Å²	53	137.2 Å²	137.2	55%	0.546	68%	0.679	S	S	.	*	H	α-helix	trans	-64.8	-35.1	179.8	0	0	0	0	0	112.8	L760 R761	G757-L760 PolarHBondContact O-N 3.04Å; G757-R761 WeakPolarHBondContact O-CB 3.38Å; G757-R761 PolarHBondContact O-N 3.39Å
758	H	41.9	Very low	39	Very low	112 Å²	112	132.6 Å²	132.6	52%	0.519	67%	0.665	S	S	.	*	H	α-helix	trans	-73.1	-30.1	-178.9	-153.6	-30.2	0	0	0	113.1	M754 A756 K762	M754-H758 PolarHBondContact O-N 3.36Å; A756-H758 VanDerWaalsContact C-N 3.31Å; A756-H758 PolarHBondContact O-N 2.77Å; H758-K762 WeakPolarHBondContact O-CB 3.21Å; H758-K762 WeakPolarHBondContact O-CG 3.3Å; H758-K762 PolarHBondContact O-N 3.36Å
759	A	41.5	Very low	39.9	Very low	61 Å²	61	129.9 Å²	129.9	50%	0.504	66%	0.657	S	S	.	*	H	α-helix	trans	-67.5	-42.9	173.5	0	0	0	0	0	111.9	A755 A756 K762 K763	A755-A759 PolarHBondContact O-N 2.91Å; A756-A759 PolarHBondContact O-N 2.86Å; A759-K762 PolarHBondContact O-N 2.04Å; A759-K763 PolarHBondContact O-N 3.02Å
760	L	36.3	Very low	40.5	Very low	125 Å²	125	127.6 Å²	127.6	65%	0.654	65%	0.65	S	S	*	*	H	α-helix	trans	-70.8	-42.7	178.8	-154.5	148.5	0	0	0	111.2	A756 G757 K762 K763 V764	A756-L760 PolarHBondContact O-N 3.19Å; G757-L760 PolarHBondContact O-N 3.04Å; L760-K762 VanDerWaalsContact C-N 3.34Å; L760-K762 PolarHBondContact O-N 2.83Å; L760-K763 PolarHBondContact O-N 3.25Å; L760-V764 HydrophobicContact CD2-CG2 4.26Å; L760-V764 WeakPolarHBondContact O-CG2 3.43Å; L760-V764 PolarHBondContact O-N 2.83Å
761	R	35.6	Very low	41.6	Very low	178 Å²	178	123.1 Å²	123.1	67%	0.672	63%	0.625	S	S	*	*	H	α-helix	trans	-59.8	-41.2	172.2	-171.9	175.7	-76	-150.6	-3.9	111.9	G757 V764 Q765	G757-R761 WeakPolarHBondContact O-CB 3.38Å; G757-R761 PolarHBondContact O-N 3.39Å; R761-V764 PolarHBondContact O-N 2.86Å; R761-Q765 WeakPolarHBondContact O-CB 3.49Å; R761-Q765 VanDerWaalsContact O-CG 3.3Å; R761-Q765 WeakPolarHBondContact O-CG 3.4Å; R761-Q765 PolarHBondContact O-N 2.91Å
762	K	43.6	Very low	42.6	Very low	119 Å²	119	117.7 Å²	117.7	52%	0.517	60%	0.602	S	S	.	*	H	α-helix	trans	-63.4	-44.1	173.6	-86.7	-171.8	175.8	-171.6	0	113	H758 A759 L760 V764 Q765 F766	H758-K762 WeakPolarHBondContact O-CB 3.21Å; H758-K762 WeakPolarHBondContact O-CG 3.3Å; H758-K762 PolarHBondContact O-N 3.36Å; A759-K762 PolarHBondContact O-N 2.04Å; L760-K762 VanDerWaalsContact C-N 3.34Å; L760-K762 PolarHBondContact O-N 2.83Å; K762-V764 VanDerWaalsContact C-N 3.33Å; K762-V764 PolarHBondContact O-N 2.87Å; K762-Q765 CarbonylContact O-C 3.49Å; K762-Q765 PolarHBondContact O-N 3.3Å; K762-F766 HydrophobicContact CB-CE2 4.43Å; K762-F766 WeakPolarHBondContact O-CD2 3.24Å; K762-F766 PolarHBondContact O-N 2.93Å; K762-F766 VanDerWaalsContact O-N 3.09Å
763	K	40.5	Very low	43.7	Very low	169 Å²	169	114.1 Å²	114.1	74%	0.735	59%	0.585	S	S	*	*	H	α-helix	trans	-63.4	-37.2	177.7	-81.2	-158.7	169.4	-160.8	0	112.8	A759 L760 F766	A759-K763 PolarHBondContact O-N 3.02Å; L760-K763 PolarHBondContact O-N 3.25Å; K763-F766 PolarHBondContact O-N 2.9Å
764	V	42.4	Very low	44.7	Very low	83 Å²	83	108.4 Å²	108.4	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-69.2	-36.5	173.2	177.1	0	0	0	0	111.5	L760 R761 K762 F766 A767	L760-V764 HydrophobicContact CD2-CG2 4.26Å; L760-V764 WeakPolarHBondContact O-CG2 3.43Å; L760-V764 PolarHBondContact O-N 2.83Å; R761-V764 PolarHBondContact O-N 2.86Å; K762-V764 VanDerWaalsContact C-N 3.33Å; K762-V764 PolarHBondContact O-N 2.87Å; V764-F766 PolarHBondContact O-N 2.98Å; V764-A767 PolarHBondContact O-N 2.61Å
765	Q	40.4	Very low	45.5	Very low	137 Å²	137	105.7 Å²	105.7	64%	0.64	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	3.4	172.3	-69.2	-177.8	-76.5	0	0	114.8	R761 K762	R761-Q765 WeakPolarHBondContact O-CB 3.49Å; R761-Q765 VanDerWaalsContact O-CG 3.3Å; R761-Q765 WeakPolarHBondContact O-CG 3.4Å; R761-Q765 PolarHBondContact O-N 2.91Å; K762-Q765 CarbonylContact O-C 3.49Å; K762-Q765 PolarHBondContact O-N 3.3Å
766	F	45.9	Very low	46.3	Very low	148 Å²	148	105.8 Å²	105.8	65%	0.649	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-9.6	170.7	-82.4	-59.5	0	0	0	113.3	K762 K763 V764	K762-F766 HydrophobicContact CB-CE2 4.43Å; K762-F766 WeakPolarHBondContact O-CD2 3.24Å; K762-F766 PolarHBondContact O-N 2.93Å; K762-F766 VanDerWaalsContact O-N 3.09Å; K763-F766 PolarHBondContact O-N 2.9Å; V764-F766 PolarHBondContact O-N 2.98Å
767	A	42.8	Very low	47.3	Very low	32 Å²	32	105.8 Å²	105.8	26%	0.264	54%	0.535	S	S	.	.	S	Bend	trans	-67.8	130.1	153.7	0	0	0	0	0	107.4	V764 D771	V764-A767 PolarHBondContact O-N 2.61Å; A767-D771 HydrophobicContact CB-CB 3.83Å
768	K	53.9	Low	48.3	Very low	138 Å²	138	110.9 Å²	110.9	60%	0.6	54%	0.538	S	S	*	.			trans	-70	166	168.9	-109.6	-175.9	163.7	-160	0	109.4	E770 D771 L772	K768-E770 PolarHBondContact O-N 2.8Å; K768-E770 VanDerWaalsContact O-N 3.14Å; K768-D771 PolarHBondContact N-OD2 2.78Å; K768-D771 PolarHBondContact O-N 3.24Å; K768-D771 VanDerWaalsContact O-N 3.1Å; K768-L772 PolarHBondContact O-N 3.49Å; K768-L772 VanDerWaalsContact O-N 3.08Å
769	D	48.6	Very low	48.8	Very low	127 Å²	127	113.9 Å²	113.9	68%	0.679	55%	0.545	S	S	*	.	H	α-helix	trans	-55.3	-35	179.5	-57.5	-79.6	0	0	0	112.2	L772 H773	D769-L772 PolarHBondContact O-N 2.69Å; D769-H773 PolarHBondContact O-N 2.81Å; D769-H773 PolarHBondContact O-ND1 2.87Å
770	E	51.2	Low	49.5	Very low	137 Å²	137	117.2 Å²	117.2	64%	0.64	55%	0.549	S	S	*	.	H	α-helix	trans	-57.8	-57.1	172.7	-64.5	160	149	0	0	112.1	K768 L772 H773 D774	K768-E770 PolarHBondContact O-N 2.8Å; K768-E770 VanDerWaalsContact O-N 3.14Å; E770-L772 PolarHBondContact O-N 2.94Å; E770-H773 PolarHBondContact O-N 3.39Å; E770-H773 VanDerWaalsContact O-N 3.08Å; E770-D774 PolarHBondContact O-N 2.92Å; E770-D774 VanDerWaalsContact O-N 3.12Å
771	D	52.2	Low	50.4	Low	46 Å²	46	113 Å²	113	25%	0.246	54%	0.535	C	S	.	.	H	α-helix	trans	-55.9	-36.4	177.4	-70.5	-57.7	0	0	0	112.4	R75 A767 K768 I775	R75-D771 IonicContact CZ-OD1 3.02Å; R75-D771 IonicContact NH1-OD1 3.7Å; R75-D771 PolarHBondContact NH1-OD1 2.9Å; A767-D771 HydrophobicContact CB-CB 3.83Å; K768-D771 PolarHBondContact N-OD2 2.78Å; K768-D771 PolarHBondContact O-N 3.24Å; K768-D771 VanDerWaalsContact O-N 3.1Å; D771-I775 WeakPolarHBondContact O-CD1 3.43Å; D771-I775 VanDerWaalsContact O-CG1 3.25Å; D771-I775 WeakPolarHBondContact O-CG1 3.22Å; D771-I775 PolarHBondContact O-N 2.86Å
772	L	54.7	Low	51	Low	68 Å²	68	106.6 Å²	106.6	36%	0.356	52%	0.516	S	S	.	.	H	α-helix	trans	-73.6	-33.8	-179.7	-171.6	63.3	0	0	0	112.1	K768 D769 E770 L776	K768-L772 PolarHBondContact O-N 3.49Å; K768-L772 VanDerWaalsContact O-N 3.08Å; D769-L772 PolarHBondContact O-N 2.69Å; E770-L772 PolarHBondContact O-N 2.94Å; L772-L776 HydrophobicContact CG-CD1 4.12Å; L772-L776 WeakPolarHBondContact O-CB 3.19Å; L772-L776 WeakPolarHBondContact O-CD1 3.3Å; L772-L776 VanDerWaalsContact O-CG 3.23Å; L772-L776 WeakPolarHBondContact O-CG 3.39Å; L772-L776 PolarHBondContact O-N 3.35Å
773	H	55.6	Low	50.9	Low	113 Å²	113	104.5 Å²	104.5	52%	0.523	52%	0.516	S	S	.	.	H	α-helix	trans	-68.5	-45.1	174.9	-78.9	74	0	0	0	111.5	D769 E770 I775 L776 D777	D769-H773 PolarHBondContact O-N 2.81Å; D769-H773 PolarHBondContact O-ND1 2.87Å; E770-H773 PolarHBondContact O-N 3.39Å; E770-H773 VanDerWaalsContact O-N 3.08Å; H773-I775 VanDerWaalsContact C-N 3.32Å; H773-I775 PolarHBondContact O-N 2.89Å; H773-L776 PolarHBondContact O-N 2.93Å; H773-L776 VanDerWaalsContact O-N 3.13Å; H773-D777 WeakPolarHBondContact O-CB 3.46Å; H773-D777 PolarHBondContact O-N 3.25Å
774	D	58.1	Low	51.2	Low	112 Å²	112	99.5 Å²	99.5	60%	0.599	51%	0.506	S	S	*	.	H	α-helix	trans	-59	-42.5	176.6	-76	-13.6	0	0	0	112	E770 D777 Y778	E770-D774 PolarHBondContact O-N 2.92Å; E770-D774 VanDerWaalsContact O-N 3.12Å; D774-D777 PolarHBondContact O-N 2.85Å; D774-Y778 WeakPolarHBondContact O-CB 3.3Å; D774-Y778 PolarHBondContact O-N 3.3Å
775	I	56.6	Low	51.3	Low	93 Å²	93	102.8 Å²	102.8	48%	0.477	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-43.2	175.5	-68.6	167.4	0	0	0	111	D771 H773 W779	D771-I775 WeakPolarHBondContact O-CD1 3.43Å; D771-I775 VanDerWaalsContact O-CG1 3.25Å; D771-I775 WeakPolarHBondContact O-CG1 3.22Å; D771-I775 PolarHBondContact O-N 2.86Å; H773-I775 VanDerWaalsContact C-N 3.32Å; H773-I775 PolarHBondContact O-N 2.89Å; I775-W779 VanDerWaalsContact O-CD1 3.29Å; I775-W779 PolarHBondContact O-N 2.9Å; I775-W779 VanDerWaalsContact O-N 3.1Å
776	L	60.7	Low	51.3	Low	86 Å²	86	104.1 Å²	104.1	45%	0.45	52%	0.522	S	S	.	.	H	α-helix	trans	-67	-38.1	178.9	-76.5	168.7	0	0	0	112.4	L772 H773 W779 K780	L772-L776 HydrophobicContact CG-CD1 4.12Å; L772-L776 WeakPolarHBondContact O-CB 3.19Å; L772-L776 WeakPolarHBondContact O-CD1 3.3Å; L772-L776 VanDerWaalsContact O-CG 3.23Å; L772-L776 WeakPolarHBondContact O-CG 3.39Å; L772-L776 PolarHBondContact O-N 3.35Å; H773-L776 PolarHBondContact O-N 2.93Å; H773-L776 VanDerWaalsContact O-N 3.13Å; L776-W779 PolarHBondContact O-N 2.89Å; L776-K780 WeakPolarHBondContact O-CG 3.37Å; L776-K780 PolarHBondContact O-N 2.92Å
777	D	58.3	Low	51.1	Low	85 Å²	85	106 Å²	106	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-76.3	-32.2	-180	-78	6.7	0	0	0	112.1	H773 D774 K780 G781	H773-D777 WeakPolarHBondContact O-CB 3.46Å; H773-D777 PolarHBondContact O-N 3.25Å; D774-D777 PolarHBondContact O-N 2.85Å; D777-K780 PolarHBondContact O-N 3.15Å; D777-K780 WeakPolarHBondContact OD1-CD 3.19Å; D777-K780 VanDerWaalsContact OD1-CE 3.25Å; D777-K780 WeakPolarHBondContact OD1-CE 3.38Å; D777-K780 IonicContact OD1-NZ 2.63Å; D777-K780 PolarHBondContact OD1-NZ 2.86Å; D777-G781 PolarHBondContact O-N 2.8Å
778	Y	52.5	Low	50.8	Low	159 Å²	159	112.5 Å²	112.5	62%	0.624	57%	0.573	S	S	*	*	H	α-helix	trans	-57	-48.3	163.8	175.4	-97	0	0	0	111.5	D774 K780 G781 V782	D774-Y778 WeakPolarHBondContact O-CB 3.3Å; D774-Y778 PolarHBondContact O-N 3.3Å; Y778-K780 PolarHBondContact O-N 2.8Å; Y778-G781 PolarHBondContact O-N 2.84Å; Y778-V782 HydrophobicContact CD1-CG2 4.33Å; Y778-V782 HydrophobicContact CD2-CG2 4.41Å; Y778-V782 HydrophobicContact CE1-CG2 3.87Å; Y778-V782 HydrophobicContact CE2-CG2 3.97Å; Y778-V782 WeakPolarHBondContact O-CG2 3.27Å; Y778-V782 PolarHBondContact O-N 2.81Å
779	W	52.9	Low	50.6	Low	176 Å²	176	111.2 Å²	111.2	67%	0.667	57%	0.572	S	S	*	*	H	α-helix	trans	-65.5	-34	177.7	-88.4	87.3	0	0	0	113.2	I775 L776 S783	I775-W779 VanDerWaalsContact O-CD1 3.29Å; I775-W779 PolarHBondContact O-N 2.9Å; I775-W779 VanDerWaalsContact O-N 3.1Å; L776-W779 PolarHBondContact O-N 2.89Å; W779-S783 WeakPolarHBondContact O-CB 3.25Å; W779-S783 PolarHBondContact O-N 3.2Å
780	K	56.1	Low	50.7	Low	131 Å²	131	110.4 Å²	110.4	57%	0.57	57%	0.566	S	S	*	*	H	α-helix	trans	-63.7	-44.8	169.7	-69.2	170.6	-159.7	164.1	0	111.4	L776 D777 Y778 S783 A784	L776-K780 WeakPolarHBondContact O-CG 3.37Å; L776-K780 PolarHBondContact O-N 2.92Å; D777-K780 PolarHBondContact O-N 3.15Å; D777-K780 WeakPolarHBondContact OD1-CD 3.19Å; D777-K780 VanDerWaalsContact OD1-CE 3.25Å; D777-K780 WeakPolarHBondContact OD1-CE 3.38Å; D777-K780 IonicContact OD1-NZ 2.63Å; D777-K780 PolarHBondContact OD1-NZ 2.86Å; Y778-K780 PolarHBondContact O-N 2.8Å; K780-S783 CarbonylContact O-C 3.49Å; K780-S783 PolarHBondContact O-N 2.93Å; K780-A784 PolarHBondContact O-N 3.02Å
781	G	54.9	Low	50.7	Low	35 Å²	35	108.9 Å²	108.9	36%	0.361	56%	0.562	S	S	.	*	H	α-helix	trans	-61.6	-48	178.7	0	0	0	0	0	113	D777 Y778 S783 A784 Q785	D777-G781 PolarHBondContact O-N 2.8Å; Y778-G781 PolarHBondContact O-N 2.84Å; G781-S783 VanDerWaalsContact C-N 3.34Å; G781-S783 PolarHBondContact O-N 2.94Å; G781-A784 WeakPolarHBondContact O-CB 3.29Å; G781-A784 PolarHBondContact O-N 3.28Å; G781-A784 VanDerWaalsContact O-N 3.13Å; G781-Q785 PolarHBondContact O-N 2.96Å
782	V	49.7	Very low	50.6	Low	45 Å²	45	112.6 Å²	112.6	27%	0.273	58%	0.581	S	S	.	*	H	α-helix	trans	-63.6	-39.7	174.9	174.9	0	0	0	0	111.2	Y778 A784 Q785 H786	Y778-V782 HydrophobicContact CD1-CG2 4.33Å; Y778-V782 HydrophobicContact CD2-CG2 4.41Å; Y778-V782 HydrophobicContact CE1-CG2 3.87Å; Y778-V782 HydrophobicContact CE2-CG2 3.97Å; Y778-V782 WeakPolarHBondContact O-CG2 3.27Å; Y778-V782 PolarHBondContact O-N 2.81Å; V782-A784 VanDerWaalsContact C-N 3.25Å; V782-A784 PolarHBondContact O-N 2.84Å; V782-Q785 PolarHBondContact O-N 3.43Å; V782-H786 PolarHBondContact O-N 2.65Å; V782-H786 VanDerWaalsContact O-N 3.12Å
783	S	41	Very low	50.3	Low	74 Å²	74	115.4 Å²	115.4	52%	0.517	60%	0.595	S	S	.	*	H	α-helix	trans	-67.7	-21.4	174.5	-175.7	0	0	0	0	113.9	W779 K780 G781	W779-S783 WeakPolarHBondContact O-CB 3.25Å; W779-S783 PolarHBondContact O-N 3.2Å; K780-S783 CarbonylContact O-C 3.49Å; K780-S783 PolarHBondContact O-N 2.93Å; G781-S783 VanDerWaalsContact C-N 3.34Å; G781-S783 PolarHBondContact O-N 2.94Å
784	A	46.1	Very low	50	Low	65 Å²	65	115.5 Å²	115.5	54%	0.537	60%	0.599	S	S	.	*	H	α-helix	trans	-81.2	-41.6	173.9	0	0	0	0	0	111.4	K780 G781 V782 H786 K787	K780-A784 PolarHBondContact O-N 3.02Å; G781-A784 WeakPolarHBondContact O-CB 3.29Å; G781-A784 PolarHBondContact O-N 3.28Å; G781-A784 VanDerWaalsContact O-N 3.13Å; V782-A784 VanDerWaalsContact C-N 3.25Å; V782-A784 PolarHBondContact O-N 2.84Å; A784-H786 VanDerWaalsContact C-N 3.28Å; A784-H786 PolarHBondContact O-N 3.3Å; A784-K787 PolarHBondContact O-N 2.84Å
785	Q	44.8	Very low	49.4	Very low	152 Å²	152	115.8 Å²	115.8	71%	0.71	60%	0.599	S	S	*	*	H	α-helix	trans	-66.7	-27.2	176.7	-70.9	-178.7	-13.7	0	0	113.1	G781 V782 K787 S788	G781-Q785 PolarHBondContact O-N 2.96Å; V782-Q785 PolarHBondContact O-N 3.43Å; Q785-K787 PolarHBondContact O-N 2.6Å; Q785-S788 PolarHBondContact O-OG 2.89Å
786	H	40.9	Very low	48.9	Very low	165 Å²	165	117.5 Å²	117.5	76%	0.764	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	12.6	170.3	-89.7	-64.7	0	0	0	114.8	V782 A784	V782-H786 PolarHBondContact O-N 2.65Å; V782-H786 VanDerWaalsContact O-N 3.12Å; A784-H786 VanDerWaalsContact C-N 3.28Å; A784-H786 PolarHBondContact O-N 3.3Å
787	K	41.5	Very low	47.9	Very low	187 Å²	187	120.2 Å²	120.2	81%	0.813	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.1	12.9	-179.1	-104.1	-176.2	176.4	-178.2	0	115.2	A784 Q785	A784-K787 PolarHBondContact O-N 2.84Å; Q785-K787 PolarHBondContact O-N 2.6Å
788	S	35.6	Very low	46.9	Very low	168 Å²	168	123.4 Å²	123.4	100%	1.175	64%	0.637	S	S	*	*			trans	-114	0	172.2	62	0	0	0	0	111.5	Q785	Q785-S788 PolarHBondContact O-OG 2.89Å

Retrieved 788 of 788 residues in 481.6 ms (Link to these results)

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